data_2jq1_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 2jq1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 4.0 mp -73.98 -49.45 5.82 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.9 Cg_endo -70.68 -25.46 24.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.167 1.088 . . . . 0.0 110.971 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -75.15 -24.59 57.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.385 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -36.94 31.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.21 -10.4 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.286 -0.884 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -83.63 -37.07 23.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.41 -19.45 42.53 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.427 -0.795 . . . . 0.0 110.892 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.4 p -85.24 -42.25 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.489 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 8.3 t -64.92 -15.17 61.73 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.742 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.42 -43.49 12.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.47 -22.88 22.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.888 . . . . 0.0 110.619 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.43 62.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.494 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -79.45 -27.5 41.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 110.19 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 120.988 0.423 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -71.25 -50.08 11.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.699 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.3 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.315 -1.191 0 O-C-N 123.117 1.062 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -85.46 -2.51 58.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.74 -56.5 2.56 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.105 -0.997 . . . . 0.0 110.29 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.34 -13.6 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.35 -0.844 . . . . 0.0 110.467 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -73.99 -37.39 64.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.118 -0.989 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.02 -27.83 67.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.42 -0.8 . . . . 0.0 110.595 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.4 p -96.67 -42.58 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.375 -0.828 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 84.8 p -63.39 -15.54 57.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.746 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.61 -43.79 13.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.29 -0.881 . . . . 0.0 110.492 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.65 -22.47 23.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.147 -0.971 . . . . 0.0 110.719 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.41 7.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.335 -0.853 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -101.26 -37.88 8.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.362 -0.837 . . . . 0.0 110.047 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.423 -0.798 . . . . 0.0 110.102 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.142 0.496 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.476 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -64.56 -56.11 24.74 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.242 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 45.3 Cg_endo -69.84 -32.79 17.54 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.357 1.188 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -72.42 -34.42 67.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.167 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.08 83.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.1 mt -86.43 -16.95 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.429 -0.794 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -76.35 -37.47 57.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.172 -0.955 . . . . 0.0 109.841 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.97 -24.49 62.42 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.393 -0.817 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.8 p -96.32 -42.19 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 110.143 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 30.7 t -62.93 -16.05 57.74 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.7 -0.625 . . . . 0.0 110.613 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.95 -44.72 12.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.272 -0.893 . . . . 0.0 110.44 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.79 -23.11 27.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.587 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.52 -28.54 60.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.367 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.82 -26.62 68.23 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 110.218 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.291 0.567 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -72.0 -49.04 10.5 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.38 -0.825 . . . . 0.0 111.098 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.18 -26.16 30.56 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 O-C-N 123.146 1.077 . . . . 0.0 111.011 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.01 66.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.38 -0.825 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.93 -28.48 15.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -73.75 -24.69 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.252 -0.905 . . . . 0.0 110.186 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.01 -36.36 72.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.82 -27.37 63.82 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.349 -0.844 . . . . 0.0 110.744 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 6.0 p -96.37 -42.33 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.323 -0.861 . . . . 0.0 110.448 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 89.4 p -58.91 -18.89 37.36 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.656 -0.652 . . . . 0.0 110.673 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.88 -44.89 25.76 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.33 -0.856 . . . . 0.0 110.532 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 1.2 pp -56.01 -27.74 54.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.177 -0.952 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.04 -25.59 67.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 110.357 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.5 -29.4 66.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.405 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.221 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.24 0.543 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -65.96 -53.15 36.08 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.346 -0.846 . . . . 0.0 110.41 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.1 Cg_endo -69.27 -24.86 31.45 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 O-C-N 123.36 1.19 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -76.45 -27.27 56.13 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.192 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.46 70.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.166 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -83.91 -12.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -84.81 -36.64 21.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.743 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.58 -20.59 33.5 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.468 -0.77 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.6 p -79.92 -41.83 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.295 -0.878 . . . . 0.0 110.168 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -65.17 -13.75 58.95 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.755 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.75 -42.97 11.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.263 -0.898 . . . . 0.0 110.551 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.72 -24.11 20.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 0.0 110.655 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.9 41.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.892 . . . . 0.0 110.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.83 -32.4 72.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.372 -0.83 . . . . 0.0 110.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.128 0.49 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.0 mp -57.37 -51.57 80.71 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.359 -0.838 . . . . 0.0 110.589 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.33 -25.85 30.17 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.225 1.119 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.17 -27.12 64.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 110.259 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.16 -23.27 23.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -78.3 -2.89 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.327 -0.858 . . . . 0.0 110.639 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -85.56 -44.63 12.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 0.0 110.095 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.52 -12.46 54.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.349 -0.845 . . . . 0.0 110.995 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 13' ' ' SER . 4.9 p -77.22 -42.22 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.204 -0.935 . . . . 0.0 110.342 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 27.4 t -68.43 -11.43 59.68 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 110.753 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.67 -39.91 11.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.161 -0.962 . . . . 0.0 110.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.93 -25.87 45.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 110.628 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.07 59.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -72.46 -23.66 61.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.287 -0.883 . . . . 0.0 110.242 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.218 0.532 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.2 mp -69.92 -51.42 14.96 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.48 -22.72 32.95 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.265 1.139 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -84.07 -25.21 29.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.15 55.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 110.36 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 mt -75.66 -6.81 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.308 -0.87 . . . . 0.0 110.591 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -80.11 -40.24 27.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.968 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -21.75 62.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 110.681 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.9 p -96.19 -41.16 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.0 110.278 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 85.7 p -65.68 -12.93 57.78 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.688 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -42.91 10.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.101 -0.999 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -53.32 -24.81 12.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.192 -0.942 . . . . 0.0 110.648 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.26 11.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.337 -0.852 . . . . 0.0 110.684 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -96.99 24.21 6.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.26 -0.9 . . . . 0.0 110.537 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.138 0.494 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 mp -58.63 -51.35 82.44 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.285 -0.884 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.79 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.266 1.14 . . . . 0.0 110.73 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -71.96 -40.2 68.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 110.195 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.21 74.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 110.223 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -85.36 -2.57 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -87.84 -42.89 12.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -0.952 . . . . 0.0 109.628 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.83 59.09 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.3 p -58.79 -42.29 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.135 -0.978 . . . . 0.0 110.316 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 95.3 p -70.9 -9.82 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 120.229 -0.589 . . . . 0.0 110.686 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.45 -38.36 10.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.188 -0.945 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -55.58 -27.51 49.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.522 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.02 68.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -63.2 -24.26 67.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.342 -0.849 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.265 -0.897 . . . . 0.0 110.365 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.166 0.508 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -67.84 -54.46 16.91 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.866 . . . . 0.0 110.457 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 43.8 Cg_endo -69.32 -25.55 30.51 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.354 1.187 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.26 -29.78 62.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.357 -0.839 . . . . 0.0 110.248 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.2 -50.59 60.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.235 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.44 -18.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.11 -33.92 75.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.78 74.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.805 . . . . 0.0 110.551 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 6.0 p -96.38 -42.19 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.499 -0.75 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 42.5 t -61.29 -17.17 52.31 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.06 15.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -0.849 . . . . 0.0 110.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.04 -19.86 34.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.266 -0.896 . . . . 0.0 110.792 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.2 26.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.245 -0.909 . . . . 0.0 110.601 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -80.11 -27.68 39.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.316 -0.865 . . . . 0.0 110.126 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 0.0 110.205 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.114 0.483 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.5 mp -70.26 -51.24 13.9 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.89 . . . . 0.0 110.687 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.5 Cg_endo -69.36 -26.74 29.17 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 O-C-N 123.11 1.058 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -74.4 -24.85 59.18 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.308 -0.87 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.62 38.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.77 -7.0 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.98 -40.21 20.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -0.973 . . . . 0.0 109.97 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.76 -20.19 56.77 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.301 -0.874 . . . . 0.0 110.804 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.3 p -88.54 -41.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.918 . . . . 0.0 110.287 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 13.5 t -61.69 -15.5 40.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.717 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.19 -43.57 14.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.627 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.59 -26.23 42.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.616 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.26 98.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 110.208 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -59.44 -37.17 77.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.377 -0.827 . . . . 0.0 110.304 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.882 . . . . 0.0 110.194 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.208 0.528 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -76.21 119.19 19.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.093 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 154.93 35.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 110.292 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.05 18.66 2.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 4.0 mp -73.98 -49.45 5.82 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.9 Cg_endo -70.68 -25.46 24.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.167 1.088 . . . . 0.0 110.971 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -75.15 -24.59 57.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.385 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -36.94 31.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.21 -10.4 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.286 -0.884 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -83.63 -37.07 23.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.41 -19.45 42.53 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.427 -0.795 . . . . 0.0 110.892 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.4 p -85.24 -42.25 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.489 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 8.3 t -64.92 -15.17 61.73 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.742 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.42 -43.49 12.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.47 -22.88 22.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.888 . . . . 0.0 110.619 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.43 62.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.494 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -79.45 -27.5 41.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -110.81 94.62 5.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 110.19 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.94 -166.67 39.82 Favored Glycine 0 N--CA 1.492 2.381 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.51 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 CA-C-N 119.416 1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.136 0.493 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 52.05 36.03 17.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.479 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -136.56 29.31 2.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp -129.13 5.55 5.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.343 -0.848 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -71.25 -50.08 11.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.699 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.3 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.315 -1.191 0 O-C-N 123.117 1.062 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -85.46 -2.51 58.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.74 -56.5 2.56 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.105 -0.997 . . . . 0.0 110.29 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.34 -13.6 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.35 -0.844 . . . . 0.0 110.467 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -73.99 -37.39 64.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.118 -0.989 . . . . 0.0 109.971 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.02 -27.83 67.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.42 -0.8 . . . . 0.0 110.595 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.4 p -96.67 -42.58 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.375 -0.828 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 84.8 p -63.39 -15.54 57.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.746 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.61 -43.79 13.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.29 -0.881 . . . . 0.0 110.492 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.65 -22.47 23.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.147 -0.971 . . . . 0.0 110.719 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.41 7.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.335 -0.853 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -101.26 -37.88 8.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.362 -0.837 . . . . 0.0 110.047 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 96.96 6.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.423 -0.798 . . . . 0.0 110.102 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.46 178.59 40.29 Favored Glycine 0 N--CA 1.491 2.334 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.584 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 CA-C-N 119.851 1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.212 0.53 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.38 -167.37 1.96 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -178.46 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.325 -0.859 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.17 -53.31 0.9 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.384 -0.823 . . . . 0.0 110.289 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -64.56 -56.11 24.74 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.242 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 45.3 Cg_endo -69.84 -32.79 17.54 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.357 1.188 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -72.42 -34.42 67.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.167 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.08 83.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.1 mt -86.43 -16.95 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.429 -0.794 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -76.35 -37.47 57.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.172 -0.955 . . . . 0.0 109.841 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.97 -24.49 62.42 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.393 -0.817 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.8 p -96.32 -42.19 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 110.143 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 30.7 t -62.93 -16.05 57.74 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.7 -0.625 . . . . 0.0 110.613 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.95 -44.72 12.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.272 -0.893 . . . . 0.0 110.44 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.79 -23.11 27.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.587 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.52 -28.54 60.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.367 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.82 -26.62 68.23 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 110.218 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -81.65 118.9 23.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.9 -113.63 1.46 Allowed Glycine 0 N--CA 1.491 2.341 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.539 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.437 1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.244 0.545 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.23 -42.8 20.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.876 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -160.47 45.68 0.21 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.804 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.12 32.66 6.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.0 110.145 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -72.0 -49.04 10.5 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.38 -0.825 . . . . 0.0 111.098 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.18 -26.16 30.56 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 O-C-N 123.146 1.077 . . . . 0.0 111.011 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.01 66.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.38 -0.825 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.93 -28.48 15.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -73.75 -24.69 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.252 -0.905 . . . . 0.0 110.186 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.01 -36.36 72.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.82 -27.37 63.82 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.349 -0.844 . . . . 0.0 110.744 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 6.0 p -96.37 -42.33 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.323 -0.861 . . . . 0.0 110.448 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 89.4 p -58.91 -18.89 37.36 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.656 -0.652 . . . . 0.0 110.673 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.88 -44.89 25.76 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.33 -0.856 . . . . 0.0 110.532 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 1.2 pp -56.01 -27.74 54.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.177 -0.952 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.04 -25.59 67.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 110.357 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.5 -29.4 66.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.405 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -67.69 104.14 1.56 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.221 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.0 -38.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.395 1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.156 0.503 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -139.56 -63.93 0.5 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.209 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.76 -171.94 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.422 -0.799 . . . . 0.0 110.234 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 -47.48 0.21 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.402 -0.811 . . . . 0.0 110.192 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -65.96 -53.15 36.08 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.346 -0.846 . . . . 0.0 110.41 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.1 Cg_endo -69.27 -24.86 31.45 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 O-C-N 123.36 1.19 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -76.45 -27.27 56.13 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.192 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.46 70.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.166 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -83.91 -12.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -84.81 -36.64 21.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.743 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.58 -20.59 33.5 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.468 -0.77 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.6 p -79.92 -41.83 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.295 -0.878 . . . . 0.0 110.168 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -65.17 -13.75 58.95 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.755 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.75 -42.97 11.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.263 -0.898 . . . . 0.0 110.551 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.72 -24.11 20.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 0.0 110.655 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.9 41.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.892 . . . . 0.0 110.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.83 -32.4 72.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.372 -0.83 . . . . 0.0 110.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.65 95.09 9.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.27 38.49 2.11 Favored Glycine 0 N--CA 1.491 2.32 0 CA-C-O 118.013 -1.437 . . . . 0.0 109.563 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 CA-C-N 119.399 1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.184 0.516 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.84 165.62 27.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.171 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.09 99.46 12.27 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 -42.13 0.49 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.292 -0.88 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.0 mp -57.37 -51.57 80.71 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.359 -0.838 . . . . 0.0 110.589 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.33 -25.85 30.17 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.225 1.119 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.17 -27.12 64.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 110.259 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.16 -23.27 23.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -78.3 -2.89 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.327 -0.858 . . . . 0.0 110.639 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -85.56 -44.63 12.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 0.0 110.095 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.52 -12.46 54.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.349 -0.845 . . . . 0.0 110.995 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 13' ' ' SER . 4.9 p -77.22 -42.22 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.204 -0.935 . . . . 0.0 110.342 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 27.4 t -68.43 -11.43 59.68 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 110.753 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.67 -39.91 11.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.161 -0.962 . . . . 0.0 110.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.93 -25.87 45.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 110.628 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.07 59.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -72.46 -23.66 61.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -58.01 135.59 56.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.287 -0.883 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.7 -83.66 0.95 Allowed Glycine 0 N--CA 1.491 2.351 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.561 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 CA-C-N 119.869 1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.253 0.549 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tp -169.75 83.91 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.359 -0.838 . . . . 0.0 110.115 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -166.37 74.05 0.17 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.43 -44.5 0.28 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -0.83 . . . . 0.0 110.081 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.2 mp -69.92 -51.42 14.96 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.48 -22.72 32.95 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.265 1.139 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -84.07 -25.21 29.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.15 55.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 110.36 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 mt -75.66 -6.81 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.308 -0.87 . . . . 0.0 110.591 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -80.11 -40.24 27.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.968 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -21.75 62.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 110.681 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.9 p -96.19 -41.16 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.0 110.278 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 85.7 p -65.68 -12.93 57.78 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.688 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -42.91 10.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.101 -0.999 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -53.32 -24.81 12.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.192 -0.942 . . . . 0.0 110.648 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.26 11.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.337 -0.852 . . . . 0.0 110.684 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -96.99 24.21 6.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.26 -0.9 . . . . 0.0 110.537 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.21 147.03 40.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.04 106.03 0.24 Allowed Glycine 0 N--CA 1.492 2.409 0 CA-C-O 117.976 -1.458 . . . . 0.0 109.536 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 CA-C-N 119.433 1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.182 0.515 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.5 167.13 4.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -71.81 150.24 44.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.395 -0.816 . . . . 0.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -107.55 -24.46 11.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 mp -58.63 -51.35 82.44 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.285 -0.884 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.79 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.266 1.14 . . . . 0.0 110.73 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -71.96 -40.2 68.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 110.195 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.21 74.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 110.223 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -85.36 -2.57 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -87.84 -42.89 12.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -0.952 . . . . 0.0 109.628 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.83 59.09 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.3 p -58.79 -42.29 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.135 -0.978 . . . . 0.0 110.316 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 95.3 p -70.9 -9.82 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 120.229 -0.589 . . . . 0.0 110.686 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.45 -38.36 10.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.188 -0.945 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -55.58 -27.51 49.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.522 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.02 68.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -63.2 -24.26 67.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.342 -0.849 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.96 127.46 32.34 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.265 -0.897 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.12 95.86 2.04 Favored Glycine 0 N--CA 1.491 2.313 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.475 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 CA-C-N 119.437 1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.185 0.517 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.52 175.56 5.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.357 -0.839 . . . . 0.0 110.154 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -137.9 29.22 2.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.96 -42.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 0.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -67.84 -54.46 16.91 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.866 . . . . 0.0 110.457 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 43.8 Cg_endo -69.32 -25.55 30.51 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.354 1.187 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.26 -29.78 62.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.357 -0.839 . . . . 0.0 110.248 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.2 -50.59 60.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.235 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.44 -18.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.11 -33.92 75.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.78 74.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.805 . . . . 0.0 110.551 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 13' ' ' SER . 6.0 p -96.38 -42.19 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.499 -0.75 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 42.5 t -61.29 -17.17 52.31 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.06 15.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -0.849 . . . . 0.0 110.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.04 -19.86 34.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.266 -0.896 . . . . 0.0 110.792 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.2 26.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.245 -0.909 . . . . 0.0 110.601 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -80.11 -27.68 39.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.316 -0.865 . . . . 0.0 110.126 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -89.23 147.99 23.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 0.0 110.205 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.35 151.48 16.89 Favored Glycine 0 N--CA 1.491 2.33 0 CA-C-O 118.046 -1.419 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 119.39 1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.196 0.522 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -146.53 -172.77 4.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -166.93 171.72 10.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.24 24.35 3.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 110.353 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.5 mp -70.26 -51.24 13.9 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.89 . . . . 0.0 110.687 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.5 Cg_endo -69.36 -26.74 29.17 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 O-C-N 123.11 1.058 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -74.4 -24.85 59.18 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.308 -0.87 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.62 38.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.77 -7.0 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.98 -40.21 20.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -0.973 . . . . 0.0 109.97 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.76 -20.19 56.77 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.301 -0.874 . . . . 0.0 110.804 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 13' ' ' SER . 5.3 p -88.54 -41.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.918 . . . . 0.0 110.287 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 13.5 t -61.69 -15.5 40.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.717 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.19 -43.57 14.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.627 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.59 -26.23 42.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.616 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.26 98.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 110.208 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -59.44 -37.17 77.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.377 -0.827 . . . . 0.0 110.304 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -86.45 122.9 31.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.882 . . . . 0.0 110.194 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.97 -161.96 28.31 Favored Glycine 0 N--CA 1.491 2.314 0 CA-C-O 117.959 -1.467 . . . . 0.0 109.563 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 CA-C-N 119.37 1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 4.0 mp -73.98 -49.45 5.82 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 44.9 Cg_endo -70.68 -25.46 24.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.167 1.088 . . . . 0.0 110.971 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -75.15 -24.59 57.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.385 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -36.94 31.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.21 -10.4 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.286 -0.884 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -83.63 -37.07 23.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.41 -19.45 42.53 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.427 -0.795 . . . . 0.0 110.892 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.864 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -85.24 -42.25 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.489 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 8.3 t -64.92 -15.17 61.73 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.742 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.42 -43.49 12.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.47 -22.88 22.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.888 . . . . 0.0 110.619 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.43 62.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.494 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -79.45 -27.5 41.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 110.19 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 120.988 0.423 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.557 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -71.25 -50.08 11.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.699 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.3 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.315 -1.191 0 O-C-N 123.117 1.062 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -85.46 -2.51 58.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.74 -56.5 2.56 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.105 -0.997 . . . . 0.0 110.29 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.34 -13.6 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.35 -0.844 . . . . 0.0 110.467 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.438 ' HA ' ' HG ' ' A' ' 13' ' ' SER . 25.9 t-20 -73.99 -37.39 64.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.118 -0.989 . . . . 0.0 109.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.02 -27.83 67.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.42 -0.8 . . . . 0.0 110.595 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.876 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -96.67 -42.58 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.375 -0.828 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 12' ' ' VAL . 84.8 p -63.39 -15.54 57.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.746 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.61 -43.79 13.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.29 -0.881 . . . . 0.0 110.492 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.876 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.6 pp -55.65 -22.47 23.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.147 -0.971 . . . . 0.0 110.719 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.41 7.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.335 -0.853 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -101.26 -37.88 8.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.362 -0.837 . . . . 0.0 110.047 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.423 -0.798 . . . . 0.0 110.102 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.142 0.496 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -64.56 -56.11 24.74 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.242 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 45.3 Cg_endo -69.84 -32.79 17.54 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.357 1.188 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -72.42 -34.42 67.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.167 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.08 83.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HA ' HG12 ' A' ' 12' ' ' VAL . 80.1 mt -86.43 -16.95 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.429 -0.794 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -76.35 -37.47 57.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.172 -0.955 . . . . 0.0 109.841 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.97 -24.49 62.42 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.393 -0.817 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.851 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.8 p -96.32 -42.19 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 110.143 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 30.7 t -62.93 -16.05 57.74 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.7 -0.625 . . . . 0.0 110.613 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.95 -44.72 12.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.272 -0.893 . . . . 0.0 110.44 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.79 -23.11 27.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.587 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.52 -28.54 60.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.367 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.82 -26.62 68.23 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 110.218 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.291 0.567 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -72.0 -49.04 10.5 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.38 -0.825 . . . . 0.0 111.098 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.18 -26.16 30.56 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 O-C-N 123.146 1.077 . . . . 0.0 111.011 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.418 ' CB ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.36 -23.01 66.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.38 -0.825 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.93 -28.48 15.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 6' ' ' PRO . 76.3 mt -73.75 -24.69 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.252 -0.905 . . . . 0.0 110.186 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.01 -36.36 72.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.82 -27.37 63.82 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.349 -0.844 . . . . 0.0 110.744 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.37 -42.33 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.323 -0.861 . . . . 0.0 110.448 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 89.4 p -58.91 -18.89 37.36 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.656 -0.652 . . . . 0.0 110.673 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.88 -44.89 25.76 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.33 -0.856 . . . . 0.0 110.532 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.2 pp -56.01 -27.74 54.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.177 -0.952 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.04 -25.59 67.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 110.357 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.5 -29.4 66.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.405 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.221 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.24 0.543 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -65.96 -53.15 36.08 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.346 -0.846 . . . . 0.0 110.41 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.1 Cg_endo -69.27 -24.86 31.45 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 O-C-N 123.36 1.19 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -76.45 -27.27 56.13 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.192 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.46 70.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.166 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 10.9 mt -83.91 -12.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -84.81 -36.64 21.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.743 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.58 -20.59 33.5 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.468 -0.77 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.879 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.6 p -79.92 -41.83 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.295 -0.878 . . . . 0.0 110.168 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -65.17 -13.75 58.95 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.755 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.75 -42.97 11.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.263 -0.898 . . . . 0.0 110.551 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.879 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.7 pp -54.72 -24.11 20.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 0.0 110.655 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.9 41.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.892 . . . . 0.0 110.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.83 -32.4 72.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.372 -0.83 . . . . 0.0 110.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.128 0.49 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.58 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.0 mp -57.37 -51.57 80.71 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.359 -0.838 . . . . 0.0 110.589 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.4 Cg_endo -69.33 -25.85 30.17 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.225 1.119 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.17 -27.12 64.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 110.259 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.16 -23.27 23.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 6' ' ' PRO . 65.0 mt -78.3 -2.89 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.327 -0.858 . . . . 0.0 110.639 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -85.56 -44.63 12.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 0.0 110.095 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.52 -12.46 54.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.349 -0.845 . . . . 0.0 110.995 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.871 ' HA ' HD23 ' A' ' 15' ' ' LEU . 4.9 p -77.22 -42.22 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.204 -0.935 . . . . 0.0 110.342 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 27.4 t -68.43 -11.43 59.68 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 110.753 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.67 -39.91 11.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.161 -0.962 . . . . 0.0 110.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.871 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.9 pp -55.93 -25.87 45.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 110.628 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.07 59.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -72.46 -23.66 61.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.287 -0.883 . . . . 0.0 110.242 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.218 0.532 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.2 mp -69.92 -51.42 14.96 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.48 -22.72 32.95 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.265 1.139 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -84.07 -25.21 29.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.15 55.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 110.36 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' A' ' 12' ' ' VAL . 36.2 mt -75.66 -6.81 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.308 -0.87 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -80.11 -40.24 27.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.968 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -21.75 62.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 110.681 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.852 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.9 p -96.19 -41.16 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.0 110.278 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 85.7 p -65.68 -12.93 57.78 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.688 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -42.91 10.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.101 -0.999 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -53.32 -24.81 12.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.192 -0.942 . . . . 0.0 110.648 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.26 11.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.337 -0.852 . . . . 0.0 110.684 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -96.99 24.21 6.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.26 -0.9 . . . . 0.0 110.537 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.138 0.494 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.1 mp -58.63 -51.35 82.44 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.285 -0.884 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.79 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.266 1.14 . . . . 0.0 110.73 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -71.96 -40.2 68.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 110.195 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.21 74.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 110.223 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 12' ' ' VAL . 84.9 mt -85.36 -2.57 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -87.84 -42.89 12.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -0.952 . . . . 0.0 109.628 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.83 59.09 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.869 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -58.79 -42.29 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.135 -0.978 . . . . 0.0 110.316 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 12' ' ' VAL . 95.3 p -70.9 -9.82 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 120.229 -0.589 . . . . 0.0 110.686 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.45 -38.36 10.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.188 -0.945 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -55.58 -27.51 49.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.522 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.02 68.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -63.2 -24.26 67.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.342 -0.849 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.265 -0.897 . . . . 0.0 110.365 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.166 0.508 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -67.84 -54.46 16.91 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.866 . . . . 0.0 110.457 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 43.8 Cg_endo -69.32 -25.55 30.51 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.354 1.187 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.26 -29.78 62.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.357 -0.839 . . . . 0.0 110.248 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.2 -50.59 60.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.235 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.44 -18.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.11 -33.92 75.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.78 74.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.805 . . . . 0.0 110.551 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.878 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.38 -42.19 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.499 -0.75 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' HG13 ' A' ' 12' ' ' VAL . 42.5 t -61.29 -17.17 52.31 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.06 15.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -0.849 . . . . 0.0 110.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.3 pp -58.04 -19.86 34.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.266 -0.896 . . . . 0.0 110.792 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.2 26.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.245 -0.909 . . . . 0.0 110.601 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -80.11 -27.68 39.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.316 -0.865 . . . . 0.0 110.126 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 0.0 110.205 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.114 0.483 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.5 mp -70.26 -51.24 13.9 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.89 . . . . 0.0 110.687 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.5 Cg_endo -69.36 -26.74 29.17 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 O-C-N 123.11 1.058 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -74.4 -24.85 59.18 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.308 -0.87 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.62 38.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 6' ' ' PRO . 78.3 mt -75.77 -7.0 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.98 -40.21 20.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -0.973 . . . . 0.0 109.97 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.76 -20.19 56.77 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.301 -0.874 . . . . 0.0 110.804 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -88.54 -41.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.918 . . . . 0.0 110.287 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 13.5 t -61.69 -15.5 40.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.717 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.19 -43.57 14.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.627 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.59 -26.23 42.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.616 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -62.12 -41.26 98.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -59.44 -37.17 77.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.377 -0.827 . . . . 0.0 110.304 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.882 . . . . 0.0 110.194 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.208 0.528 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -76.21 119.19 19.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.093 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 154.93 35.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 110.292 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.05 18.66 2.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.558 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 4.0 mp -73.98 -49.45 5.82 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 44.9 Cg_endo -70.68 -25.46 24.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.167 1.088 . . . . 0.0 110.971 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -75.15 -24.59 57.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.385 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -36.94 31.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.21 -10.4 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.286 -0.884 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -83.63 -37.07 23.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.41 -19.45 42.53 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.427 -0.795 . . . . 0.0 110.892 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.864 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -85.24 -42.25 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.489 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 8.3 t -64.92 -15.17 61.73 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.742 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.42 -43.49 12.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.47 -22.88 22.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.888 . . . . 0.0 110.619 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.43 62.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.494 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -79.45 -27.5 41.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -110.81 94.62 5.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 110.19 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.94 -166.67 39.82 Favored Glycine 0 N--CA 1.492 2.381 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.51 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 CA-C-N 119.416 1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.136 0.493 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' HA ' HD13 ' A' ' 2' ' ' LEU . 2.3 mm? 52.05 36.03 17.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.479 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -136.56 29.31 2.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp -129.13 5.55 5.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.343 -0.848 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.557 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -71.25 -50.08 11.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.699 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.3 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.315 -1.191 0 O-C-N 123.117 1.062 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -85.46 -2.51 58.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.74 -56.5 2.56 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.105 -0.997 . . . . 0.0 110.29 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.34 -13.6 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.35 -0.844 . . . . 0.0 110.467 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' HA ' ' HG ' ' A' ' 13' ' ' SER . 25.9 t-20 -73.99 -37.39 64.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.118 -0.989 . . . . 0.0 109.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.02 -27.83 67.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.42 -0.8 . . . . 0.0 110.595 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.876 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -96.67 -42.58 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.375 -0.828 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 12' ' ' VAL . 84.8 p -63.39 -15.54 57.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.746 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.61 -43.79 13.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.29 -0.881 . . . . 0.0 110.492 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.876 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.6 pp -55.65 -22.47 23.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.147 -0.971 . . . . 0.0 110.719 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.41 7.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.335 -0.853 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -101.26 -37.88 8.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.362 -0.837 . . . . 0.0 110.047 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 96.96 6.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.423 -0.798 . . . . 0.0 110.102 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.46 178.59 40.29 Favored Glycine 0 N--CA 1.491 2.334 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.584 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 CA-C-N 119.851 1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.443 ' C ' HD12 ' A' ' 2' ' ' LEU . 99.2 m-85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.212 0.53 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 1' ' ' PHE . 3.3 mp -134.38 -167.37 1.96 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -56.61 -178.46 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.325 -0.859 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.17 -53.31 0.9 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.384 -0.823 . . . . 0.0 110.289 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -64.56 -56.11 24.74 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.242 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 45.3 Cg_endo -69.84 -32.79 17.54 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.357 1.188 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -72.42 -34.42 67.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.167 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.08 83.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HA ' HG12 ' A' ' 12' ' ' VAL . 80.1 mt -86.43 -16.95 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.429 -0.794 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -76.35 -37.47 57.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.172 -0.955 . . . . 0.0 109.841 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.97 -24.49 62.42 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.393 -0.817 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.851 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.8 p -96.32 -42.19 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 110.143 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 30.7 t -62.93 -16.05 57.74 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.7 -0.625 . . . . 0.0 110.613 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.95 -44.72 12.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.272 -0.893 . . . . 0.0 110.44 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.79 -23.11 27.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.587 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.52 -28.54 60.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.367 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.82 -26.62 68.23 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 110.218 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -81.65 118.9 23.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.9 -113.63 1.46 Allowed Glycine 0 N--CA 1.491 2.341 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.539 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.437 1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.244 0.545 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.23 -42.8 20.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.876 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -160.47 45.68 0.21 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.804 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -117.12 32.66 6.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.0 110.145 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -72.0 -49.04 10.5 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.38 -0.825 . . . . 0.0 111.098 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.18 -26.16 30.56 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 O-C-N 123.146 1.077 . . . . 0.0 111.011 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.418 ' CB ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.36 -23.01 66.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.38 -0.825 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.93 -28.48 15.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 6' ' ' PRO . 76.3 mt -73.75 -24.69 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.252 -0.905 . . . . 0.0 110.186 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.01 -36.36 72.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.82 -27.37 63.82 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.349 -0.844 . . . . 0.0 110.744 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.37 -42.33 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.323 -0.861 . . . . 0.0 110.448 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 89.4 p -58.91 -18.89 37.36 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.656 -0.652 . . . . 0.0 110.673 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.88 -44.89 25.76 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.33 -0.856 . . . . 0.0 110.532 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.2 pp -56.01 -27.74 54.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.177 -0.952 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.04 -25.59 67.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 110.357 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.5 -29.4 66.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.405 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -67.69 104.14 1.56 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.221 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.0 -38.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.395 1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.156 0.503 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -139.56 -63.93 0.5 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.209 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.76 -171.94 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.422 -0.799 . . . . 0.0 110.234 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 -47.48 0.21 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.402 -0.811 . . . . 0.0 110.192 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -65.96 -53.15 36.08 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.346 -0.846 . . . . 0.0 110.41 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.1 Cg_endo -69.27 -24.86 31.45 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 O-C-N 123.36 1.19 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -76.45 -27.27 56.13 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.192 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.46 70.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.166 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 10.9 mt -83.91 -12.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -84.81 -36.64 21.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.743 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.58 -20.59 33.5 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.468 -0.77 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.879 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.6 p -79.92 -41.83 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.295 -0.878 . . . . 0.0 110.168 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -65.17 -13.75 58.95 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.755 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.75 -42.97 11.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.263 -0.898 . . . . 0.0 110.551 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.879 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.7 pp -54.72 -24.11 20.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 0.0 110.655 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.9 41.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.892 . . . . 0.0 110.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.83 -32.4 72.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.372 -0.83 . . . . 0.0 110.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.65 95.09 9.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.27 38.49 2.11 Favored Glycine 0 N--CA 1.491 2.32 0 CA-C-O 118.013 -1.437 . . . . 0.0 109.563 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 CA-C-N 119.399 1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.184 0.516 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.84 165.62 27.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.171 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.09 99.46 12.27 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 -42.13 0.49 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.292 -0.88 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.58 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.0 mp -57.37 -51.57 80.71 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.359 -0.838 . . . . 0.0 110.589 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.4 Cg_endo -69.33 -25.85 30.17 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.225 1.119 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.17 -27.12 64.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 110.259 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.16 -23.27 23.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 6' ' ' PRO . 65.0 mt -78.3 -2.89 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.327 -0.858 . . . . 0.0 110.639 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -85.56 -44.63 12.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 0.0 110.095 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.52 -12.46 54.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.349 -0.845 . . . . 0.0 110.995 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.871 ' HA ' HD23 ' A' ' 15' ' ' LEU . 4.9 p -77.22 -42.22 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.204 -0.935 . . . . 0.0 110.342 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 27.4 t -68.43 -11.43 59.68 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 110.753 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.67 -39.91 11.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.161 -0.962 . . . . 0.0 110.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.871 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.9 pp -55.93 -25.87 45.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 110.628 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.07 59.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -72.46 -23.66 61.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -58.01 135.59 56.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.287 -0.883 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.7 -83.66 0.95 Allowed Glycine 0 N--CA 1.491 2.351 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.561 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 CA-C-N 119.869 1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.253 0.549 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tp -169.75 83.91 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.359 -0.838 . . . . 0.0 110.115 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -166.37 74.05 0.17 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.43 -44.5 0.28 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -0.83 . . . . 0.0 110.081 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.2 mp -69.92 -51.42 14.96 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.48 -22.72 32.95 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.265 1.139 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -84.07 -25.21 29.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.15 55.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 110.36 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' A' ' 12' ' ' VAL . 36.2 mt -75.66 -6.81 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.308 -0.87 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -80.11 -40.24 27.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.968 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -21.75 62.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 110.681 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.852 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.9 p -96.19 -41.16 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.0 110.278 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 85.7 p -65.68 -12.93 57.78 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.688 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -42.91 10.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.101 -0.999 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -53.32 -24.81 12.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.192 -0.942 . . . . 0.0 110.648 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.26 11.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.337 -0.852 . . . . 0.0 110.684 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -96.99 24.21 6.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.26 -0.9 . . . . 0.0 110.537 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.21 147.03 40.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.04 106.03 0.24 Allowed Glycine 0 N--CA 1.492 2.409 0 CA-C-O 117.976 -1.458 . . . . 0.0 109.536 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 CA-C-N 119.433 1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.182 0.515 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.5 167.13 4.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -71.81 150.24 44.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.395 -0.816 . . . . 0.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -107.55 -24.46 11.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.1 mp -58.63 -51.35 82.44 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.285 -0.884 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.79 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.266 1.14 . . . . 0.0 110.73 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -71.96 -40.2 68.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 110.195 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.21 74.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 110.223 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 12' ' ' VAL . 84.9 mt -85.36 -2.57 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -87.84 -42.89 12.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -0.952 . . . . 0.0 109.628 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.83 59.09 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.869 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -58.79 -42.29 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.135 -0.978 . . . . 0.0 110.316 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 12' ' ' VAL . 95.3 p -70.9 -9.82 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 120.229 -0.589 . . . . 0.0 110.686 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.45 -38.36 10.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.188 -0.945 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -55.58 -27.51 49.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.522 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.02 68.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -63.2 -24.26 67.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.342 -0.849 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.96 127.46 32.34 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.265 -0.897 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.12 95.86 2.04 Favored Glycine 0 N--CA 1.491 2.313 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.475 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 CA-C-N 119.437 1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.185 0.517 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 2' ' ' LEU . 4.2 mm? -103.52 175.56 5.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.357 -0.839 . . . . 0.0 110.154 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -137.9 29.22 2.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.96 -42.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 0.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -67.84 -54.46 16.91 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.866 . . . . 0.0 110.457 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 43.8 Cg_endo -69.32 -25.55 30.51 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.354 1.187 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.26 -29.78 62.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.357 -0.839 . . . . 0.0 110.248 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.2 -50.59 60.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.235 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.44 -18.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.11 -33.92 75.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.78 74.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.805 . . . . 0.0 110.551 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.878 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.38 -42.19 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.499 -0.75 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' HG13 ' A' ' 12' ' ' VAL . 42.5 t -61.29 -17.17 52.31 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.06 15.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -0.849 . . . . 0.0 110.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.3 pp -58.04 -19.86 34.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.266 -0.896 . . . . 0.0 110.792 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.2 26.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.245 -0.909 . . . . 0.0 110.601 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -80.11 -27.68 39.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.316 -0.865 . . . . 0.0 110.126 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -89.23 147.99 23.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 0.0 110.205 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.35 151.48 16.89 Favored Glycine 0 N--CA 1.491 2.33 0 CA-C-O 118.046 -1.419 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 119.39 1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.196 0.522 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 3' ' ' SER . 3.1 pp -146.53 -172.77 4.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' N ' HD12 ' A' ' 2' ' ' LEU . 97.8 p -166.93 171.72 10.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.24 24.35 3.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 110.353 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.5 mp -70.26 -51.24 13.9 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.89 . . . . 0.0 110.687 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.5 Cg_endo -69.36 -26.74 29.17 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 O-C-N 123.11 1.058 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -74.4 -24.85 59.18 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.308 -0.87 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.62 38.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 6' ' ' PRO . 78.3 mt -75.77 -7.0 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.98 -40.21 20.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -0.973 . . . . 0.0 109.97 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.76 -20.19 56.77 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.301 -0.874 . . . . 0.0 110.804 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -88.54 -41.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.918 . . . . 0.0 110.287 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 13.5 t -61.69 -15.5 40.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.717 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.19 -43.57 14.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.627 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.59 -26.23 42.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.616 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -62.12 -41.26 98.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -59.44 -37.17 77.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.377 -0.827 . . . . 0.0 110.304 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -86.45 122.9 31.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.882 . . . . 0.0 110.194 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.97 -161.96 28.31 Favored Glycine 0 N--CA 1.491 2.314 0 CA-C-O 117.959 -1.467 . . . . 0.0 109.563 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 CA-C-N 119.37 1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 4.0 mp -73.98 -49.45 5.82 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 44.9 Cg_endo -70.68 -25.46 24.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.167 1.088 . . . . 0.0 110.971 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -75.15 -24.59 57.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.385 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -36.94 31.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.21 -10.4 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.286 -0.884 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -83.63 -37.07 23.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.41 -19.45 42.53 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.427 -0.795 . . . . 0.0 110.892 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.864 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -85.24 -42.25 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.489 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 8.3 t -64.92 -15.17 61.73 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.742 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.42 -43.49 12.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.47 -22.88 22.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.888 . . . . 0.0 110.619 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.43 62.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.494 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -79.45 -27.5 41.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 110.19 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 120.988 0.423 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.557 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -71.25 -50.08 11.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.699 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.3 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.315 -1.191 0 O-C-N 123.117 1.062 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -85.46 -2.51 58.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.74 -56.5 2.56 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.105 -0.997 . . . . 0.0 110.29 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.34 -13.6 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.35 -0.844 . . . . 0.0 110.467 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.438 ' HA ' ' HG ' ' A' ' 13' ' ' SER . 25.9 t-20 -73.99 -37.39 64.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.118 -0.989 . . . . 0.0 109.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.02 -27.83 67.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.42 -0.8 . . . . 0.0 110.595 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.876 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -96.67 -42.58 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.375 -0.828 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 12' ' ' VAL . 84.8 p -63.39 -15.54 57.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.746 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.61 -43.79 13.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.29 -0.881 . . . . 0.0 110.492 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.876 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.6 pp -55.65 -22.47 23.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.147 -0.971 . . . . 0.0 110.719 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.41 7.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.335 -0.853 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -101.26 -37.88 8.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.362 -0.837 . . . . 0.0 110.047 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.423 -0.798 . . . . 0.0 110.102 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.142 0.496 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -64.56 -56.11 24.74 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.242 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 45.3 Cg_endo -69.84 -32.79 17.54 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.357 1.188 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -72.42 -34.42 67.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.167 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.08 83.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HA ' HG12 ' A' ' 12' ' ' VAL . 80.1 mt -86.43 -16.95 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.429 -0.794 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -76.35 -37.47 57.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.172 -0.955 . . . . 0.0 109.841 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.97 -24.49 62.42 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.393 -0.817 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.851 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.8 p -96.32 -42.19 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 110.143 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 30.7 t -62.93 -16.05 57.74 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.7 -0.625 . . . . 0.0 110.613 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.95 -44.72 12.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.272 -0.893 . . . . 0.0 110.44 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.79 -23.11 27.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.587 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.52 -28.54 60.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.367 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.82 -26.62 68.23 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 110.218 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.291 0.567 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -72.0 -49.04 10.5 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.38 -0.825 . . . . 0.0 111.098 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.18 -26.16 30.56 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 O-C-N 123.146 1.077 . . . . 0.0 111.011 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.418 ' CB ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.36 -23.01 66.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.38 -0.825 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.93 -28.48 15.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 6' ' ' PRO . 76.3 mt -73.75 -24.69 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.252 -0.905 . . . . 0.0 110.186 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.01 -36.36 72.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.82 -27.37 63.82 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.349 -0.844 . . . . 0.0 110.744 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.37 -42.33 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.323 -0.861 . . . . 0.0 110.448 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 89.4 p -58.91 -18.89 37.36 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.656 -0.652 . . . . 0.0 110.673 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.88 -44.89 25.76 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.33 -0.856 . . . . 0.0 110.532 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.2 pp -56.01 -27.74 54.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.177 -0.952 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.04 -25.59 67.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 110.357 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.5 -29.4 66.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.405 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.221 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.24 0.543 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -65.96 -53.15 36.08 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.346 -0.846 . . . . 0.0 110.41 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.1 Cg_endo -69.27 -24.86 31.45 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 O-C-N 123.36 1.19 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -76.45 -27.27 56.13 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.192 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.46 70.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.166 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 10.9 mt -83.91 -12.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -84.81 -36.64 21.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.743 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.58 -20.59 33.5 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.468 -0.77 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.879 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.6 p -79.92 -41.83 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.295 -0.878 . . . . 0.0 110.168 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -65.17 -13.75 58.95 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.755 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.75 -42.97 11.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.263 -0.898 . . . . 0.0 110.551 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.879 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.7 pp -54.72 -24.11 20.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 0.0 110.655 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.9 41.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.892 . . . . 0.0 110.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.83 -32.4 72.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.372 -0.83 . . . . 0.0 110.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.128 0.49 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.58 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.0 mp -57.37 -51.57 80.71 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.359 -0.838 . . . . 0.0 110.589 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.4 Cg_endo -69.33 -25.85 30.17 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.225 1.119 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.17 -27.12 64.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 110.259 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.16 -23.27 23.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 6' ' ' PRO . 65.0 mt -78.3 -2.89 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.327 -0.858 . . . . 0.0 110.639 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -85.56 -44.63 12.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 0.0 110.095 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.52 -12.46 54.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.349 -0.845 . . . . 0.0 110.995 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.871 ' HA ' HD23 ' A' ' 15' ' ' LEU . 4.9 p -77.22 -42.22 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.204 -0.935 . . . . 0.0 110.342 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 27.4 t -68.43 -11.43 59.68 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 110.753 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.67 -39.91 11.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.161 -0.962 . . . . 0.0 110.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.871 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.9 pp -55.93 -25.87 45.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 110.628 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.07 59.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -72.46 -23.66 61.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.287 -0.883 . . . . 0.0 110.242 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.218 0.532 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.2 mp -69.92 -51.42 14.96 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.48 -22.72 32.95 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.265 1.139 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -84.07 -25.21 29.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.15 55.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 110.36 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' A' ' 12' ' ' VAL . 36.2 mt -75.66 -6.81 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.308 -0.87 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -80.11 -40.24 27.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.968 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -21.75 62.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 110.681 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.852 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.9 p -96.19 -41.16 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.0 110.278 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 85.7 p -65.68 -12.93 57.78 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.688 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -42.91 10.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.101 -0.999 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -53.32 -24.81 12.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.192 -0.942 . . . . 0.0 110.648 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.26 11.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.337 -0.852 . . . . 0.0 110.684 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -96.99 24.21 6.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.26 -0.9 . . . . 0.0 110.537 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.138 0.494 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.1 mp -58.63 -51.35 82.44 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.285 -0.884 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.79 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.266 1.14 . . . . 0.0 110.73 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -71.96 -40.2 68.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 110.195 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.21 74.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 110.223 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 12' ' ' VAL . 84.9 mt -85.36 -2.57 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -87.84 -42.89 12.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -0.952 . . . . 0.0 109.628 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.83 59.09 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.869 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -58.79 -42.29 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.135 -0.978 . . . . 0.0 110.316 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 12' ' ' VAL . 95.3 p -70.9 -9.82 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 120.229 -0.589 . . . . 0.0 110.686 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.45 -38.36 10.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.188 -0.945 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -55.58 -27.51 49.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.522 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.02 68.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -63.2 -24.26 67.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.342 -0.849 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.265 -0.897 . . . . 0.0 110.365 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.166 0.508 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -67.84 -54.46 16.91 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.866 . . . . 0.0 110.457 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 43.8 Cg_endo -69.32 -25.55 30.51 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.354 1.187 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.26 -29.78 62.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.357 -0.839 . . . . 0.0 110.248 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.2 -50.59 60.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.235 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.44 -18.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.11 -33.92 75.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.78 74.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.805 . . . . 0.0 110.551 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.878 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.38 -42.19 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.499 -0.75 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' HG13 ' A' ' 12' ' ' VAL . 42.5 t -61.29 -17.17 52.31 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.06 15.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -0.849 . . . . 0.0 110.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.3 pp -58.04 -19.86 34.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.266 -0.896 . . . . 0.0 110.792 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.2 26.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.245 -0.909 . . . . 0.0 110.601 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -80.11 -27.68 39.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.316 -0.865 . . . . 0.0 110.126 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 0.0 110.205 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.114 0.483 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.5 mp -70.26 -51.24 13.9 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.89 . . . . 0.0 110.687 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.5 Cg_endo -69.36 -26.74 29.17 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 O-C-N 123.11 1.058 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -74.4 -24.85 59.18 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.308 -0.87 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.62 38.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 6' ' ' PRO . 78.3 mt -75.77 -7.0 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.98 -40.21 20.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -0.973 . . . . 0.0 109.97 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.76 -20.19 56.77 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.301 -0.874 . . . . 0.0 110.804 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -88.54 -41.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.918 . . . . 0.0 110.287 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 13.5 t -61.69 -15.5 40.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.717 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.19 -43.57 14.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.627 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.59 -26.23 42.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.616 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -62.12 -41.26 98.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -59.44 -37.17 77.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.377 -0.827 . . . . 0.0 110.304 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.882 . . . . 0.0 110.194 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.208 0.528 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -76.21 119.19 19.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.093 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 154.93 35.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 110.292 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.05 18.66 2.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.558 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 4.0 mp -73.98 -49.45 5.82 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 44.9 Cg_endo -70.68 -25.46 24.3 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.167 1.088 . . . . 0.0 110.971 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -75.15 -24.59 57.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 0.0 110.385 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -36.94 31.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 110.311 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.21 -10.4 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.286 -0.884 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -83.63 -37.07 23.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.212 -0.93 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.41 -19.45 42.53 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.427 -0.795 . . . . 0.0 110.892 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.864 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -85.24 -42.25 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.489 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 8.3 t -64.92 -15.17 61.73 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 120.161 -0.615 . . . . 0.0 110.742 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.42 -43.49 12.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.467 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.864 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.47 -22.88 22.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.888 . . . . 0.0 110.619 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.43 62.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.494 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -79.45 -27.5 41.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -110.81 94.62 5.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 110.19 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.94 -166.67 39.82 Favored Glycine 0 N--CA 1.492 2.381 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.51 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 CA-C-N 119.416 1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.136 0.493 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' HA ' HD13 ' A' ' 2' ' ' LEU . 2.3 mm? 52.05 36.03 17.72 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.479 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -136.56 29.31 2.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.239 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp -129.13 5.55 5.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.343 -0.848 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.557 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -71.25 -50.08 11.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.699 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.3 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.315 -1.191 0 O-C-N 123.117 1.062 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -85.46 -2.51 58.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.74 -56.5 2.56 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.105 -0.997 . . . . 0.0 110.29 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.34 -13.6 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.35 -0.844 . . . . 0.0 110.467 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' HA ' ' HG ' ' A' ' 13' ' ' SER . 25.9 t-20 -73.99 -37.39 64.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.118 -0.989 . . . . 0.0 109.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.02 -27.83 67.73 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.42 -0.8 . . . . 0.0 110.595 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.876 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.4 p -96.67 -42.58 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.375 -0.828 . . . . 0.0 110.364 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 12' ' ' VAL . 84.8 p -63.39 -15.54 57.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.746 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.61 -43.79 13.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.29 -0.881 . . . . 0.0 110.492 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.876 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.6 pp -55.65 -22.47 23.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.147 -0.971 . . . . 0.0 110.719 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.41 7.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.335 -0.853 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -101.26 -37.88 8.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.362 -0.837 . . . . 0.0 110.047 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 96.96 6.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.423 -0.798 . . . . 0.0 110.102 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.46 178.59 40.29 Favored Glycine 0 N--CA 1.491 2.334 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.584 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 CA-C-N 119.851 1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.443 ' C ' HD12 ' A' ' 2' ' ' LEU . 99.2 m-85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.212 0.53 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 1' ' ' PHE . 3.3 mp -134.38 -167.37 1.96 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -56.61 -178.46 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.325 -0.859 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.17 -53.31 0.9 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.384 -0.823 . . . . 0.0 110.289 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -64.56 -56.11 24.74 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.242 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 45.3 Cg_endo -69.84 -32.79 17.54 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.357 1.188 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -72.42 -34.42 67.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.167 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.08 83.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HA ' HG12 ' A' ' 12' ' ' VAL . 80.1 mt -86.43 -16.95 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.429 -0.794 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -76.35 -37.47 57.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.172 -0.955 . . . . 0.0 109.841 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.97 -24.49 62.42 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.393 -0.817 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.851 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.8 p -96.32 -42.19 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 110.143 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 30.7 t -62.93 -16.05 57.74 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.7 -0.625 . . . . 0.0 110.613 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.95 -44.72 12.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.272 -0.893 . . . . 0.0 110.44 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.79 -23.11 27.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.587 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.52 -28.54 60.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.367 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -61.82 -26.62 68.23 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 110.218 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -81.65 118.9 23.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.9 -113.63 1.46 Allowed Glycine 0 N--CA 1.491 2.341 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.539 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.437 1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.244 0.545 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mt -81.23 -42.8 20.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.299 -0.876 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -160.47 45.68 0.21 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.804 . . . . 0.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -117.12 32.66 6.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.0 110.145 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.8 mp -72.0 -49.04 10.5 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.38 -0.825 . . . . 0.0 111.098 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.4 Cg_endo -69.18 -26.16 30.56 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 O-C-N 123.146 1.077 . . . . 0.0 111.011 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.418 ' CB ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.36 -23.01 66.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.38 -0.825 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.93 -28.48 15.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 6' ' ' PRO . 76.3 mt -73.75 -24.69 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.252 -0.905 . . . . 0.0 110.186 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.01 -36.36 72.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.82 -27.37 63.82 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.349 -0.844 . . . . 0.0 110.744 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.37 -42.33 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.323 -0.861 . . . . 0.0 110.448 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 89.4 p -58.91 -18.89 37.36 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.656 -0.652 . . . . 0.0 110.673 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.88 -44.89 25.76 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.33 -0.856 . . . . 0.0 110.532 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.2 pp -56.01 -27.74 54.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.177 -0.952 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.04 -25.59 67.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 110.357 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -58.5 -29.4 66.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.405 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -67.69 104.14 1.56 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.221 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.0 -38.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.395 1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.156 0.503 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -139.56 -63.93 0.5 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.209 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.76 -171.94 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.422 -0.799 . . . . 0.0 110.234 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 -47.48 0.21 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.402 -0.811 . . . . 0.0 110.192 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.6 mp -65.96 -53.15 36.08 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.346 -0.846 . . . . 0.0 110.41 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.1 Cg_endo -69.27 -24.86 31.45 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 O-C-N 123.36 1.19 . . . . 0.0 111.01 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -76.45 -27.27 56.13 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.192 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.46 70.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.166 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 10.9 mt -83.91 -12.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -84.81 -36.64 21.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.223 -0.923 . . . . 0.0 109.743 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.58 -20.59 33.5 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.468 -0.77 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.879 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.6 p -79.92 -41.83 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.295 -0.878 . . . . 0.0 110.168 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -65.17 -13.75 58.95 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.755 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.75 -42.97 11.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.263 -0.898 . . . . 0.0 110.551 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.879 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.7 pp -54.72 -24.11 20.7 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 0.0 110.655 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.9 41.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.892 . . . . 0.0 110.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.83 -32.4 72.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.372 -0.83 . . . . 0.0 110.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.65 95.09 9.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.27 38.49 2.11 Favored Glycine 0 N--CA 1.491 2.32 0 CA-C-O 118.013 -1.437 . . . . 0.0 109.563 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 CA-C-N 119.399 1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.184 0.516 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.84 165.62 27.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.171 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.09 99.46 12.27 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 -42.13 0.49 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.292 -0.88 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.58 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.0 mp -57.37 -51.57 80.71 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.359 -0.838 . . . . 0.0 110.589 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.4 Cg_endo -69.33 -25.85 30.17 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.225 1.119 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -70.17 -27.12 64.27 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 110.259 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.16 -23.27 23.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 6' ' ' PRO . 65.0 mt -78.3 -2.89 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.327 -0.858 . . . . 0.0 110.639 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -85.56 -44.63 12.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.111 -0.993 . . . . 0.0 110.095 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.52 -12.46 54.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.349 -0.845 . . . . 0.0 110.995 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.871 ' HA ' HD23 ' A' ' 15' ' ' LEU . 4.9 p -77.22 -42.22 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.204 -0.935 . . . . 0.0 110.342 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 27.4 t -68.43 -11.43 59.68 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 110.753 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.67 -39.91 11.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.161 -0.962 . . . . 0.0 110.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.871 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.9 pp -55.93 -25.87 45.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 110.628 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.07 59.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.419 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -72.46 -23.66 61.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.389 -0.82 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -58.01 135.59 56.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.287 -0.883 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.7 -83.66 0.95 Allowed Glycine 0 N--CA 1.491 2.351 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.561 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 CA-C-N 119.869 1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.253 0.549 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tp -169.75 83.91 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.359 -0.838 . . . . 0.0 110.115 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -166.37 74.05 0.17 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.43 -44.5 0.28 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -0.83 . . . . 0.0 110.081 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.2 mp -69.92 -51.42 14.96 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.378 -0.826 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.48 -22.72 32.95 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.265 1.139 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -84.07 -25.21 29.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.15 55.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 110.36 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' A' ' 12' ' ' VAL . 36.2 mt -75.66 -6.81 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.308 -0.87 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -80.11 -40.24 27.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.968 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -21.75 62.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 110.681 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.852 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.9 p -96.19 -41.16 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.0 110.278 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 85.7 p -65.68 -12.93 57.78 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.688 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.84 -42.91 10.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.101 -0.999 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -53.32 -24.81 12.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.192 -0.942 . . . . 0.0 110.648 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.26 11.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.337 -0.852 . . . . 0.0 110.684 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -96.99 24.21 6.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.26 -0.9 . . . . 0.0 110.537 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.21 147.03 40.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.251 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.04 106.03 0.24 Allowed Glycine 0 N--CA 1.492 2.409 0 CA-C-O 117.976 -1.458 . . . . 0.0 109.536 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 CA-C-N 119.433 1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.182 0.515 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.5 167.13 4.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -71.81 150.24 44.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.395 -0.816 . . . . 0.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -107.55 -24.46 11.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 5' ' ' ILE . 3.1 mp -58.63 -51.35 82.44 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.285 -0.884 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 45.0 Cg_endo -69.79 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.266 1.14 . . . . 0.0 110.73 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -71.96 -40.2 68.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 110.195 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.21 74.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 110.223 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 12' ' ' VAL . 84.9 mt -85.36 -2.57 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.41 -0.806 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -87.84 -42.89 12.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -0.952 . . . . 0.0 109.628 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.83 59.09 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.869 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -58.79 -42.29 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.135 -0.978 . . . . 0.0 110.316 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 12' ' ' VAL . 95.3 p -70.9 -9.82 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 120.229 -0.589 . . . . 0.0 110.686 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.45 -38.36 10.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.188 -0.945 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 12' ' ' VAL . 2.1 pp -55.58 -27.51 49.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.522 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.02 68.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -63.2 -24.26 67.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.342 -0.849 . . . . 0.0 110.391 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.96 127.46 32.34 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.265 -0.897 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.12 95.86 2.04 Favored Glycine 0 N--CA 1.491 2.313 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.475 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 CA-C-N 119.437 1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.185 0.517 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 2' ' ' LEU . 4.2 mm? -103.52 175.56 5.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.357 -0.839 . . . . 0.0 110.154 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -137.9 29.22 2.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.96 -42.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 0.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 1.6 mp -67.84 -54.46 16.91 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.866 . . . . 0.0 110.457 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 5' ' ' ILE . 43.8 Cg_endo -69.32 -25.55 30.51 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.354 1.187 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.26 -29.78 62.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.357 -0.839 . . . . 0.0 110.248 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.2 -50.59 60.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.235 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.44 -18.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.11 -33.92 75.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.78 74.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.805 . . . . 0.0 110.551 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.878 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.0 p -96.38 -42.19 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.499 -0.75 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' N ' HG13 ' A' ' 12' ' ' VAL . 42.5 t -61.29 -17.17 52.31 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.06 15.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -0.849 . . . . 0.0 110.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.3 pp -58.04 -19.86 34.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.266 -0.896 . . . . 0.0 110.792 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.2 26.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.245 -0.909 . . . . 0.0 110.601 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -80.11 -27.68 39.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.316 -0.865 . . . . 0.0 110.126 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -89.23 147.99 23.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 0.0 110.205 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.35 151.48 16.89 Favored Glycine 0 N--CA 1.491 2.33 0 CA-C-O 118.046 -1.419 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 119.39 1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.196 0.522 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 3' ' ' SER . 3.1 pp -146.53 -172.77 4.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' N ' HD12 ' A' ' 2' ' ' LEU . 97.8 p -166.93 171.72 10.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.24 24.35 3.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 110.353 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.554 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.5 mp -70.26 -51.24 13.9 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.275 -0.89 . . . . 0.0 110.687 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 44.5 Cg_endo -69.36 -26.74 29.17 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 O-C-N 123.11 1.058 . . . . 0.0 110.874 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -74.4 -24.85 59.18 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.308 -0.87 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.62 38.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 6' ' ' PRO . 78.3 mt -75.77 -7.0 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.98 -40.21 20.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -0.973 . . . . 0.0 109.97 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.76 -20.19 56.77 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.301 -0.874 . . . . 0.0 110.804 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -88.54 -41.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.918 . . . . 0.0 110.287 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.491 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 13.5 t -61.69 -15.5 40.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.717 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.19 -43.57 14.81 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.627 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 12' ' ' VAL . 1.5 pp -55.59 -26.23 42.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.616 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -62.12 -41.26 98.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 110.208 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -59.44 -37.17 77.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.377 -0.827 . . . . 0.0 110.304 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -86.45 122.9 31.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.882 . . . . 0.0 110.194 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.97 -161.96 28.31 Favored Glycine 0 N--CA 1.491 2.314 0 CA-C-O 117.959 -1.467 . . . . 0.0 109.563 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 CA-C-N 119.37 1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_