data_2hac_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 2hac _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 ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.85 -36.7 81.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.126 -0.984 . . . . 0.0 109.546 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.53 -52.38 53.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.89 -53.07 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -1.177 . . . . 0.0 109.96 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.81 -44.12 86.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 0.0 109.637 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.23 -56.25 20.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.6 -38.28 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.125 -0.984 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.97 -41.5 92.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.411 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -62.87 -40.31 99.1 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.2 -47.77 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 0.0 109.981 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -65.84 -42.52 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.952 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -40.27 88.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.183 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 13' ' ' GLY . 30.0 m -66.22 -38.05 87.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.16 -0.962 . . . . 0.0 109.626 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.22 -0.925 . . . . 0.0 109.71 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.62 -36.33 80.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.547 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.5 -51.81 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.054 -1.028 . . . . 0.0 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.64 -40.03 94.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.435 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' A' ' 22' ' ' ARG . 21.8 ttm-85 -56.81 -43.69 81.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.461 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 109.6 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -46.89 81.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 0.0 109.398 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.12 -36.41 81.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.267 -0.896 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 -50.79 63.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.006 -1.238 . . . . 0.0 110.006 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.82 -52.64 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -1.227 . . . . 0.0 109.995 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.046 -1.034 . . . . 0.0 109.76 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -61.94 -53.28 57.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.0 109.741 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.73 -36.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.42 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.9 -41.15 95.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -38.73 94.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.34 -46.03 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -1.172 . . . . 0.0 110.114 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 99.6 mt -64.04 -37.71 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.087 -1.008 . . . . 0.0 110.024 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.63 60.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.116 -0.99 . . . . 0.0 108.912 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -58.55 -39.79 81.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.748 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.31 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.177 -0.952 . . . . 0.0 109.722 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.44 -30.95 71.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 109.55 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.79 -51.53 54.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 0.0 109.736 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt -63.13 -38.11 89.9 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 109.827 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.08 -42.93 81.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.049 -1.032 . . . . 0.0 109.406 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.336 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.77 -37.48 84.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.732 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.85 88.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.51 -52.53 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -1.204 . . . . 0.0 109.975 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.06 -40.84 98.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.144 -0.973 . . . . 0.0 109.787 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.49 -54.43 36.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.65 -36.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.185 -0.947 . . . . 0.0 109.283 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.13 -41.4 98.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.61 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -64.67 -38.19 95.34 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.44 -47.34 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -1.148 . . . . 0.0 110.146 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.28 -38.53 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.994 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -39.53 68.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 0.0 109.499 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 13' ' ' GLY . 32.8 m -67.07 -40.24 86.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.067 -1.02 . . . . 0.0 109.945 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.86 83.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 0.0 109.897 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.47 -33.05 74.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.0 109.655 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.73 -50.65 64.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -0.975 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.17 -40.68 98.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.95 . . . . 0.0 109.813 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -54.3 -40.25 67.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.069 -1.019 . . . . 0.0 109.439 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.406 179.827 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.36 -45.73 86.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -61.48 -37.0 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.281 -0.887 . . . . 0.0 109.292 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.42 -52.99 49.91 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.64 -50.66 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -1.207 . . . . 0.0 109.35 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.62 -39.28 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.086 -1.009 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.22 -55.49 21.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.46 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -54.38 -38.59 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 109.095 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -56.7 -44.32 81.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.354 -0.841 . . . . 0.0 109.148 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.18 -39.63 97.28 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.68 -46.96 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.132 -1.216 . . . . 0.0 109.88 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.65 -37.01 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.159 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -46.28 59.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.063 -1.023 . . . . 0.0 109.215 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -58.14 -38.78 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 0.0 109.796 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.24 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.227 -0.921 . . . . 0.0 110.11 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.67 -33.21 75.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.105 -0.997 . . . . 0.0 109.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -64.37 -49.42 71.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.0 109.575 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.57 -40.48 89.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 0.0 109.833 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.49 -39.5 70.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.97 -1.081 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.436 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 87.2 m-20 -59.17 -39.66 83.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -50.06 66.6 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.8 -46.15 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -1.185 . . . . 0.0 109.751 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.17 -43.11 99.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.082 -1.011 . . . . 0.0 109.607 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -61.7 -53.4 56.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.541 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 11' ' ' ILE . 96.7 mt -56.98 -37.53 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.34 -42.17 86.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.365 -0.835 . . . . 0.0 109.431 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.96 -40.74 93.48 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.68 -44.58 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.051 -1.264 . . . . 0.0 109.955 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.94 -42.51 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.066 -1.021 . . . . 0.0 110.004 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.71 84.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 108.659 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 m -60.31 -39.92 88.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.78 83.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -66.36 -30.81 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 109.643 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -67.87 -51.36 49.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.056 -1.027 . . . . 0.0 109.875 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.35 -36.46 82.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 110.082 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -57.6 -42.34 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.016 -1.052 . . . . 0.0 109.667 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.471 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 tp . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.42 -43.93 96.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 87.8 m-20 -62.21 -40.48 96.23 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 109.664 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.94 -48.85 84.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 82.4 mt -67.6 -47.7 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.24 -1.153 . . . . 0.0 109.931 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.09 -40.61 90.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.06 -1.025 . . . . 0.0 109.821 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.02 -53.74 53.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.171 -0.956 . . . . 0.0 109.778 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.12 -38.34 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.195 -0.941 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.48 -40.71 92.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.21 -0.931 . . . . 0.0 109.4 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.69 99.69 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.77 -44.78 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.252 -1.146 . . . . 0.0 110.006 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.78 -38.7 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.931 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -39.28 73.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.072 -1.017 . . . . 0.0 109.095 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -68.64 -39.61 80.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.15 74.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 109.657 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.8 -32.35 72.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.988 . . . . 0.0 109.358 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -66.16 -50.5 63.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.27 -40.56 96.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.904 . . . . 0.0 109.298 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -51.8 -39.36 58.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.301 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.8 m-20 -63.38 -39.08 93.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.38 -52.56 52.0 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.413 HD12 HG23 ' A' ' 8' ' ' ILE . 88.7 mt -64.62 -52.99 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.229 -1.159 . . . . 0.0 109.985 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.9 mt -58.91 -43.09 91.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.801 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.76 -56.53 16.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.404 HD13 HG22 ' A' ' 11' ' ' ILE . 97.6 mt -53.22 -38.39 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.199 -0.938 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.12 -40.27 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 109.571 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.65 -41.33 99.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.72 -47.48 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -1.174 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -38.91 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.978 . . . . 0.0 110.15 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -42.77 68.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.949 -1.095 . . . . 0.0 109.364 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -64.61 -39.09 93.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.723 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.66 79.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.0 109.754 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.7 -32.84 74.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.548 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.21 -51.29 59.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.17 -0.956 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.05 -39.26 94.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -57.52 -42.58 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.564 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 108.992 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.5 m-20 -63.08 -37.53 87.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.0 109.51 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -50.49 66.96 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -48.8 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -1.21 . . . . 0.0 109.565 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.2 -41.38 99.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.104 -0.997 . . . . 0.0 109.409 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.32 -56.32 19.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.407 HD13 HG23 ' B' ' 11' ' ' ILE . 96.8 mt -53.58 -40.92 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 0.0 108.96 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.88 -42.1 83.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.347 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.48 95.24 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.79 -50.22 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -1.183 . . . . 0.0 110.197 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.75 -42.07 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.86 82.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.054 -1.029 . . . . 0.0 108.929 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m -60.68 -40.01 90.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.91 71.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.752 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.44 -33.01 74.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 109.48 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.43 -51.22 59.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.94 -39.68 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.972 . . . . 0.0 109.615 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.527 ' O ' ' NE ' ' B' ' 22' ' ' ARG . 8.7 tpm_? -57.42 -34.06 68.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.104 -0.997 . . . . 0.0 109.602 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 94.6 m-20 -63.32 -39.0 93.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 0.0 109.65 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 -51.7 57.12 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 -50.29 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.199 -1.177 . . . . 0.0 109.62 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.75 -41.52 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.737 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.56 -55.27 25.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.674 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.47 -38.51 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.198 -0.939 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -59.99 -42.52 94.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 0.0 109.2 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.19 -40.3 98.8 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.92 -43.85 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -1.12 . . . . 0.0 109.78 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -72.27 -39.95 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.134 -0.978 . . . . 0.0 110.239 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -39.17 80.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.23 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 m -69.31 -40.32 77.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.074 -1.016 . . . . 0.0 109.793 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.09 86.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.056 -1.027 . . . . 0.0 109.711 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.53 -34.37 77.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.157 -0.964 . . . . 0.0 109.44 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -64.64 -52.8 55.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.097 -1.002 . . . . 0.0 109.646 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -41.19 91.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.448 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -54.43 -40.21 68.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.932 . . . . 0.0 109.223 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 121.376 -0.827 . . . . 0.0 109.644 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.25 -46.18 91.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.898 . . . . 0.0 109.216 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 92.7 m-20 -59.54 -38.08 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.204 -0.935 . . . . 0.0 109.534 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.39 -51.55 57.24 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.43 -56.85 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.156 -1.202 . . . . 0.0 109.825 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.23 -43.03 74.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.551 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.81 -55.04 37.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -0.95 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.401 HG22 HD13 ' B' ' 11' ' ' ILE . 97.3 mt -55.83 -38.11 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.416 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -58.24 -42.5 86.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.567 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.22 92.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.06 -45.09 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -1.149 . . . . 0.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.11 -33.14 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.162 -0.961 . . . . 0.0 110.114 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -46.02 41.54 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.164 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.51 -39.35 87.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 110.026 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.97 87.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.813 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.59 -33.5 75.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.138 -0.976 . . . . 0.0 109.855 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.58 -51.74 64.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.947 -1.096 . . . . 0.0 109.767 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.79 -38.38 88.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.012 -1.055 . . . . 0.0 109.698 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -56.62 -44.87 81.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 0.0 109.481 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.376 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.1 m-20 -61.85 -39.16 90.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 0.0 109.687 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -50.96 61.87 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.83 -44.94 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.187 -1.184 . . . . 0.0 109.569 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.24 -40.66 81.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.145 -0.972 . . . . 0.0 109.327 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.8 -55.86 19.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.495 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.87 -39.3 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.173 -0.954 . . . . 0.0 109.106 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.39 -40.88 83.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.685 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.44 -37.7 90.36 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.32 -45.9 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -1.192 . . . . 0.0 110.193 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.28 -40.76 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.012 -1.055 . . . . 0.0 110.003 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -45.33 77.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.076 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.509 ' HG1' ' HH ' ' B' ' 12' ' ' TYR . 32.1 m -59.84 -40.33 88.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 109.871 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.5 69.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.941 . . . . 0.0 109.649 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.05 -33.3 75.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.175 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -65.11 -50.57 65.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.183 -0.948 . . . . 0.0 109.372 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.9 -46.24 88.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.232 -0.917 . . . . 0.0 109.611 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -52.82 -39.0 62.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.281 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.3 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.533 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.192 0.52 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.57 -46.95 86.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.968 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.1 m-20 -61.11 -36.94 81.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.0 109.685 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.29 66.92 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.93 -48.48 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.241 . . . . 0.0 109.819 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.34 -41.95 98.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.136 -0.978 . . . . 0.0 109.653 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.52 -53.83 51.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 109.646 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.4 HG22 HD13 ' B' ' 11' ' ' ILE . 96.7 mt -55.63 -39.38 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.0 109.222 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.509 ' HH ' ' HG1' ' A' ' 17' ' ' THR . 87.8 t80 -60.39 -41.29 93.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.29 99.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.57 -46.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -1.159 . . . . 0.0 109.824 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.54 -34.98 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.163 -0.961 . . . . 0.0 110.104 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -41.44 59.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 0.0 109.4 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -66.33 -38.4 87.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.71 76.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.207 -0.933 . . . . 0.0 109.781 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.97 -33.66 75.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.141 -0.974 . . . . 0.0 109.516 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.48 -50.23 64.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.61 -42.65 86.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.108 -0.995 . . . . 0.0 110.049 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -54.78 -41.27 70.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 109.627 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.384 179.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -61.05 -38.13 85.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 0.0 109.332 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.45 52.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.8 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -1.234 . . . . 0.0 109.937 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -57.97 -43.46 86.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.034 -1.041 . . . . 0.0 109.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.02 -55.52 31.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 109.492 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 11' ' ' ILE . 97.1 mt -55.43 -38.66 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.148 -0.97 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.709 ' HH ' ' HG1' ' B' ' 17' ' ' THR . 64.5 t80 -60.25 -39.04 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 0.0 109.637 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.72 -40.63 97.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.55 -44.17 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -1.152 . . . . 0.0 110.084 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.06 -36.49 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.149 -0.969 . . . . 0.0 110.455 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -44.48 63.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.153 . . . . 0.0 109.432 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.2 m -67.07 -37.01 83.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 109.876 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.42 86.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.24 -0.912 . . . . 0.0 109.957 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.69 -31.69 72.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -66.54 -50.2 63.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.986 -1.071 . . . . 0.0 109.394 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.26 -39.93 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -56.66 -40.97 76.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.107 -0.996 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.6 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.247 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.42 -47.7 75.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.188 -0.945 . . . . 0.0 109.114 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.65 -35.76 80.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.2 -52.84 50.94 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.06 -53.31 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -1.205 . . . . 0.0 109.678 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.32 -43.39 88.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.491 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.18 -54.67 30.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.139 -0.976 . . . . 0.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.46 -39.36 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 109.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.26 -40.93 87.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.358 -0.839 . . . . 0.0 109.535 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.44 81.38 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.9 -46.09 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.237 . . . . 0.0 109.907 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.82 -42.43 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 109.966 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -45.03 86.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.068 -1.02 . . . . 0.0 108.973 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.709 ' HG1' ' HH ' ' A' ' 12' ' ' TYR . 25.5 m -61.41 -41.06 96.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 0.0 110.075 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.26 -51.63 68.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.48 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.5 -31.92 73.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -64.21 -50.55 67.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.016 -1.053 . . . . 0.0 109.461 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.24 -37.29 86.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 109.562 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.45 -38.53 69.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.108 -0.995 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.366 179.714 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -63.34 -38.61 91.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.916 . . . . 0.0 109.719 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.34 -49.67 74.02 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.53 -55.55 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.236 -1.155 . . . . 0.0 109.809 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 mt -59.24 -40.97 87.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.932 . . . . 0.0 109.608 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -58.22 7.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.862 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -36.72 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.51 -41.61 94.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.85 . . . . 0.0 109.653 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -41.0 92.38 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.07 -47.86 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -1.16 . . . . 0.0 110.122 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.34 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.963 . . . . 0.0 110.022 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -46.68 79.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.368 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -59.88 -40.71 89.64 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 110.105 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.36 77.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.104 -0.997 . . . . 0.0 109.674 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.02 -33.21 75.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.29 -53.03 59.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 0.0 109.61 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.91 -37.65 88.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.692 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.65 -41.42 70.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 0.0 109.473 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.436 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.11 -47.14 87.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.205 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.32 -34.99 77.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.66 44.37 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.23 -51.25 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.166 -1.196 . . . . 0.0 109.918 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.68 -42.71 97.68 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.635 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.26 -53.55 47.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.941 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -55.59 -42.85 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.96 . . . . 0.0 109.529 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -58.94 -38.31 78.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.313 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.83 -43.14 98.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -67.11 -47.47 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.277 -1.131 . . . . 0.0 110.472 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.82 -40.39 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -39.63 81.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.352 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.089 -1.007 . . . . 0.0 109.931 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -48.93 79.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.76 -35.24 75.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 109.709 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.05 -50.57 67.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.98 -42.4 99.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.196 -0.94 . . . . 0.0 109.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -55.11 -39.15 69.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.462 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.438 179.685 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.88 83.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.127 -0.983 . . . . 0.0 109.231 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.43 67.08 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.25 -49.09 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 0.0 109.998 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.999 -1.063 . . . . 0.0 109.377 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.84 -53.82 44.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -54.52 -40.83 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 108.92 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -56.82 -42.67 79.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 0.0 109.275 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.69 95.98 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.95 -45.6 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -1.164 . . . . 0.0 110.198 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.79 -30.96 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 0.0 110.029 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -46.33 23.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.001 -1.062 . . . . 0.0 108.896 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.589 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.84 80.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.193 -0.942 . . . . 0.0 109.604 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.19 -29.59 68.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.235 -0.916 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.58 -53.05 53.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.113 -0.992 . . . . 0.0 109.613 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.77 -41.09 96.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -53.15 -43.05 66.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.144 -0.972 . . . . 0.0 109.63 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.109 -0.994 . . . . 0.0 109.581 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.15 -46.94 86.75 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.186 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.8 -36.38 74.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.196 -0.94 . . . . 0.0 109.285 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.76 59.79 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.43 -51.02 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.11 -1.229 . . . . 0.0 110.244 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.04 -42.35 99.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.128 -0.983 . . . . 0.0 109.632 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.81 -55.94 19.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.939 . . . . 0.0 109.579 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.97 -37.71 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.945 . . . . 0.0 109.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.76 -42.0 92.28 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.27 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.76 -40.76 99.62 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.73 -45.13 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.149 . . . . 0.0 110.031 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.15 -35.72 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.958 . . . . 0.0 109.988 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -42.52 36.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -66.69 -37.72 85.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.11 -0.994 . . . . 0.0 109.525 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.07 83.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 109.799 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 66.5 mt -64.59 -29.48 70.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -69.83 -51.08 36.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.005 -1.059 . . . . 0.0 110.117 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.69 -41.03 98.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.019 -1.051 . . . . 0.0 109.662 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -56.37 -38.88 72.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 109.121 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.61 -179.825 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.42 -38.57 91.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 0.0 109.673 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.38 -49.97 72.78 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.03 -52.56 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -1.206 . . . . 0.0 109.93 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.88 -42.44 97.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.099 -1.001 . . . . 0.0 109.57 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.09 -56.38 17.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 0.0 109.708 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.23 -38.91 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.196 -0.94 . . . . 0.0 109.208 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -58.13 -41.86 84.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -64.78 -39.65 96.78 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.56 -45.27 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.305 -1.115 . . . . 0.0 110.099 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -68.86 -42.28 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.144 -0.972 . . . . 0.0 110.013 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -37.83 86.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.276 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 13' ' ' GLY . 29.9 m -68.57 -40.16 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.123 -0.986 . . . . 0.0 109.883 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 109.754 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.0 -34.97 79.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 109.761 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.8 -48.94 74.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.022 -1.049 . . . . 0.0 109.79 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.89 -36.6 83.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -58.07 -44.33 87.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.083 -1.011 . . . . 0.0 109.999 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.048 -1.032 . . . . 0.0 109.645 -179.778 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.73 -46.63 81.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.08 -39.15 93.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 109.986 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.62 64.56 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.68 -53.21 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.104 -1.233 . . . . 0.0 109.923 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.46 -43.29 93.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.051 . . . . 0.0 109.521 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.55 -53.14 60.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.224 -0.923 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.6 -38.06 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 109.258 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.03 -42.93 86.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 109.506 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.9 95.44 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.93 -47.07 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -1.211 . . . . 0.0 110.058 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.15 -43.58 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.129 -0.982 . . . . 0.0 109.83 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -43.7 94.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.047 -1.033 . . . . 0.0 108.666 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -60.2 -39.21 85.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 109.788 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.56 75.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.947 . . . . 0.0 109.839 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.49 -31.58 72.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.32 -50.99 63.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.833 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.07 -36.42 84.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.103 -0.998 . . . . 0.0 109.942 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -53.39 -40.51 65.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.09 -1.006 . . . . 0.0 109.343 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.631 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -59.22 -36.91 76.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.093 -1.004 . . . . 0.0 109.715 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.87 62.72 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.33 -52.9 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.253 . . . . 0.0 110.073 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.15 -42.24 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 109.746 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.77 -55.54 22.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.026 -1.046 . . . . 0.0 109.464 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.4 -40.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.069 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -55.6 -43.43 76.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.414 -0.804 . . . . 0.0 109.602 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.16 -37.41 91.38 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.29 -46.89 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.065 -1.256 . . . . 0.0 110.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.01 -36.61 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -0.988 . . . . 0.0 109.894 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -43.97 64.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 108.982 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 m -60.81 -38.55 85.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.0 109.656 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.47 64.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.112 -0.992 . . . . 0.0 109.785 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.1 -32.52 73.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -0.926 . . . . 0.0 109.468 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -65.49 -51.1 62.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.107 -0.995 . . . . 0.0 109.731 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.68 -41.07 98.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.903 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -55.21 -39.19 69.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.036 -1.04 . . . . 0.0 109.416 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.92 . . . . 0.0 109.462 179.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.7 -45.0 94.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 0.0 109.2 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.42 -36.84 81.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.611 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.31 -51.16 58.49 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.2 -46.64 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.14 -1.212 . . . . 0.0 109.845 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.66 -41.77 95.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -0.993 . . . . 0.0 109.563 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -63.27 -54.08 42.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 0.0 109.466 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.15 -36.58 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 109.072 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -60.81 -42.44 97.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.405 -0.809 . . . . 0.0 109.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.91 96.52 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.75 -46.3 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -1.181 . . . . 0.0 109.935 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.53 -36.31 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.062 -1.024 . . . . 0.0 110.007 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -42.58 58.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 109.389 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -67.17 -38.31 85.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -0.961 . . . . 0.0 109.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.43 85.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.727 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.92 -32.84 74.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -64.82 -51.07 64.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.061 -1.025 . . . . 0.0 109.676 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.707 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -54.93 -41.17 70.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 80.2 m-20 -61.46 -40.78 95.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.145 -0.972 . . . . 0.0 109.52 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -49.71 69.56 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.25 -47.15 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -1.174 . . . . 0.0 110.015 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.32 -41.67 96.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.714 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -62.87 -54.91 31.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.0 109.788 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 11' ' ' ILE . 97.0 mt -53.61 -40.94 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -58.66 -41.3 85.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.727 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.77 96.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.33 -44.95 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 110.066 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.66 -35.09 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.3 60.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.04 . . . . 0.0 109.235 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.2 m -67.18 -39.02 86.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.161 -0.962 . . . . 0.0 109.667 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -49.66 76.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.792 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.83 -32.75 74.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.767 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.67 -50.78 61.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.51 -42.95 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -54.86 -40.59 69.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 179.753 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.07 -42.6 99.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.336 -0.853 . . . . 0.0 108.982 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 94.2 m-20 -63.9 -38.12 89.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 0.0 109.512 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.49 -51.14 60.55 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.96 -54.53 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -1.147 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.82 -41.67 78.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.436 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.84 -57.62 10.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.81 -41.61 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.201 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -56.07 -43.83 78.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.213 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.11 -40.69 95.14 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.31 -46.56 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -1.181 . . . . 0.0 109.779 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.64 -36.33 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.94 . . . . 0.0 109.951 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -45.5 65.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.996 -1.065 . . . . 0.0 109.025 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.2 m -61.92 -38.62 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.644 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.74 80.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 109.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 32.9 mt -66.85 -33.99 76.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.459 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -63.38 -52.42 61.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.079 -1.013 . . . . 0.0 109.591 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.59 -36.57 84.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.105 -0.997 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -58.74 -40.39 83.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.205 -0.935 . . . . 0.0 109.435 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 95.1 m-20 -62.15 -37.8 86.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.68 43.88 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.87 -53.96 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.1 -1.236 . . . . 0.0 109.642 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.68 -43.17 94.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.491 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.98 -54.06 44.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.951 . . . . 0.0 109.714 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.74 -39.48 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.058 -1.026 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.22 -42.4 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.671 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.58 90.23 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.17 -47.85 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -1.176 . . . . 0.0 110.019 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.04 -43.87 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.063 -1.023 . . . . 0.0 109.952 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.57 97.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -0.979 . . . . 0.0 108.972 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -60.39 -40.63 91.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 110.003 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.46 73.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.092 -1.005 . . . . 0.0 109.831 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.49 -32.82 74.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 109.697 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.79 -53.19 59.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.04 -1.038 . . . . 0.0 109.63 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.25 -38.7 92.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.139 -0.976 . . . . 0.0 109.539 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.06 -42.21 65.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.549 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.489 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.08 -45.41 81.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.064 -1.023 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 90.7 m-20 -60.89 -38.7 86.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.13 -52.34 53.89 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.34 -51.06 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 0.0 109.721 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.45 -43.12 99.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.122 -0.986 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.25 -56.4 18.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.191 -0.943 . . . . 0.0 109.426 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.413 HG21 HD13 ' B' ' 11' ' ' ILE . 97.1 mt -54.67 -40.08 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 108.959 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -57.43 -40.34 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.95 -41.65 99.67 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -68.3 -43.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.233 -1.157 . . . . 0.0 110.163 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -70.12 -38.39 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -41.75 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 108.975 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.8 m -66.91 -38.31 85.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 109.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 110.0 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.09 -35.3 76.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.155 -0.966 . . . . 0.0 109.553 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.8 -51.48 61.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.93 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.99 -35.67 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.108 -0.995 . . . . 0.0 110.129 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -56.65 -43.51 80.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.04 -1.037 . . . . 0.0 109.776 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.0 109.822 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -63.42 -37.46 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.458 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.16 -51.68 57.36 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.99 -52.45 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -1.228 . . . . 0.0 109.506 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.01 -42.14 98.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.21 -54.49 36.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 0.0 109.68 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -56.17 -39.97 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.173 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.15 -40.21 76.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.384 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.52 98.97 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.59 -43.55 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.15 -1.206 . . . . 0.0 109.847 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.23 -41.82 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.925 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -40.92 80.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.138 -0.977 . . . . 0.0 109.36 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 m -70.19 -36.75 74.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.025 -1.047 . . . . 0.0 109.756 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.22 82.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.11 -32.78 74.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.464 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.57 -51.4 65.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.968 . . . . 0.0 109.735 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.06 -37.81 88.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.721 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -57.97 -39.55 78.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 0.0 109.619 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.915 . . . . 0.0 109.551 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -47.98 81.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.252 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.34 -38.75 84.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.06 -49.28 80.15 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.9 -55.05 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -1.199 . . . . 0.0 109.953 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.06 -41.82 88.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.148 -0.97 . . . . 0.0 109.572 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.51 -55.17 30.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.169 -0.957 . . . . 0.0 109.596 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.58 -41.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 109.156 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -55.11 -43.57 74.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.231 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.93 93.35 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.49 -46.92 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -1.188 . . . . 0.0 109.847 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.71 -38.33 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.131 -0.981 . . . . 0.0 110.009 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -43.3 78.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.993 -1.067 . . . . 0.0 108.863 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 -38.86 90.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.01 . . . . 0.0 109.427 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.21 66.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.435 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.01 -33.33 75.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -50.94 70.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.062 -1.024 . . . . 0.0 109.44 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.4 -38.74 90.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -55.54 -40.26 71.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 109.114 179.518 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 89.6 m-20 -60.01 -38.8 83.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.57 -49.68 71.3 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.24 -52.29 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -1.207 . . . . 0.0 109.655 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.41 -38.76 85.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.162 -0.961 . . . . 0.0 109.459 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.8 -54.35 32.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.963 -1.085 . . . . 0.0 109.204 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 11' ' ' ILE . 97.0 mt -57.03 -35.15 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.942 . . . . 0.0 109.036 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -59.58 -41.27 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.428 -0.795 . . . . 0.0 109.394 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.5 -38.52 90.79 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.34 -45.11 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.138 -1.213 . . . . 0.0 109.93 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 15' ' ' ILE . 98.6 mt -65.6 -42.77 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.02 . . . . 0.0 109.787 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.44 81.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.021 -1.049 . . . . 0.0 108.83 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -60.05 -39.3 85.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.284 -0.885 . . . . 0.0 109.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.47 64.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.158 -0.964 . . . . 0.0 109.802 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.09 -34.56 75.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.5 -49.58 72.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.087 -1.008 . . . . 0.0 109.765 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.47 -39.58 88.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.016 -1.053 . . . . 0.0 110.048 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -55.15 -40.55 70.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.097 -1.002 . . . . 0.0 109.644 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.62 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' B' ' 5' ' ' LEU . 4.0 mm? -65.59 -42.33 91.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 82.2 m-20 -64.92 -37.18 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.958 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.27 53.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.54 -54.46 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -1.177 . . . . 0.0 109.803 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 mt -57.69 -41.33 81.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.062 -1.024 . . . . 0.0 109.705 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.52 -52.48 61.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.074 -1.016 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.12 -40.25 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.133 -0.979 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -56.95 -42.44 80.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 109.354 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.62 -39.72 98.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.45 -48.46 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.288 -1.125 . . . . 0.0 110.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.22 -39.61 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.827 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -39.37 73.7 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.091 -1.006 . . . . 0.0 109.397 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -66.93 -38.76 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 109.818 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.78 80.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 109.811 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.83 -35.26 77.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.89 -50.64 67.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.062 -1.024 . . . . 0.0 109.356 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.74 -39.72 94.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.16 -42.24 76.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.957 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.22 -0.925 . . . . 0.0 109.19 179.61 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 44.7 p30 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.305 0.574 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.2 m -56.23 154.58 7.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -84.65 13.65 5.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.37 -39.07 78.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.284 -0.885 . . . . 0.0 109.469 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.43 -36.56 69.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 109.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -59.71 -26.78 65.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.3 tp -76.17 -41.34 50.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 0.0 109.57 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.03 -48.24 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 109.308 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.85 -36.7 81.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.126 -0.984 . . . . 0.0 109.546 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.53 -52.38 53.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.89 -53.07 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -1.177 . . . . 0.0 109.96 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.81 -44.12 86.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 0.0 109.637 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.23 -56.25 20.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.6 -38.28 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.125 -0.984 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.97 -41.5 92.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.411 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -62.87 -40.31 99.1 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.2 -47.77 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 0.0 109.981 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -65.84 -42.52 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.952 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -40.27 88.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.183 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 13' ' ' GLY . 30.0 m -66.22 -38.05 87.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.16 -0.962 . . . . 0.0 109.626 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.22 -0.925 . . . . 0.0 109.71 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.62 -36.33 80.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.547 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.5 -51.81 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.054 -1.028 . . . . 0.0 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.64 -40.03 94.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.435 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' A' ' 22' ' ' ARG . 21.8 ttm-85 -56.81 -43.69 81.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.461 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -74.04 -33.07 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 109.6 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.12 -40.59 67.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.546 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.47 125.24 43.59 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.291 -0.881 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -64.21 -35.16 79.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 109.394 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.15 -34.95 66.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.34 -0.85 . . . . 0.0 109.439 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 t 51.26 23.28 1.61 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.54 71.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.444 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.457 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . 0.468 ' H1 ' ' H ' ' B' ' -2' ' ' SER . 75.1 m-20 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' SER . . . . . 0.468 ' H ' ' H1 ' ' B' ' -3' ' ' ASP . 58.6 p -148.49 157.37 43.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.314 -0.866 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 50.33 27.28 2.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.63 -41.1 85.19 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 0.0 109.152 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 41.3 t -61.5 -32.15 72.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 0.0 109.434 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -58.64 -30.16 67.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.237 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.87 -43.24 68.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.44 -46.89 81.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 0.0 109.398 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.12 -36.41 81.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.267 -0.896 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 -50.79 63.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.006 -1.238 . . . . 0.0 110.006 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.82 -52.64 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -1.227 . . . . 0.0 109.995 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.046 -1.034 . . . . 0.0 109.76 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -61.94 -53.28 57.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.0 109.741 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.73 -36.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.42 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.9 -41.15 95.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -38.73 94.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.34 -46.03 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -1.172 . . . . 0.0 110.114 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 99.6 mt -64.04 -37.71 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.087 -1.008 . . . . 0.0 110.024 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.63 60.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.116 -0.99 . . . . 0.0 108.912 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -58.55 -39.79 81.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.748 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.31 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.177 -0.952 . . . . 0.0 109.722 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.44 -30.95 71.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 109.55 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.79 -51.53 54.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 0.0 109.736 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt -63.13 -38.11 89.9 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 109.827 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.08 -42.93 81.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.049 -1.032 . . . . 0.0 109.406 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.81 -35.67 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.88 -43.49 98.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.203 -0.935 . . . . 0.0 109.34 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -94.51 128.07 40.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.208 -0.933 . . . . 0.0 109.025 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 38.5 p -67.87 159.27 30.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -63.86 142.41 58.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.319 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -59.65 165.78 2.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.607 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.59 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . -62.36 148.83 44.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.506 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.59 ' OXT' ' O ' ' B' ' 29' ' ' ALA . 68.0 m-20 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.726 ' HB2' ' OD1' ' B' ' -3' ' ' ASP . 84.7 m-20 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 55.1 m 50.99 90.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.178 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.19 9.8 2.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.313 -0.867 . . . . 0.0 109.434 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.57 -36.46 78.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.0 t -56.47 -33.62 66.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.235 -0.915 . . . . 0.0 109.431 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.2 -25.69 67.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.226 -0.921 . . . . 0.0 109.439 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp -74.38 -42.36 59.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.672 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.03 -46.55 90.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.054 -1.029 . . . . 0.0 109.422 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.77 -37.48 84.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.732 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.85 88.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.51 -52.53 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -1.204 . . . . 0.0 109.975 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.06 -40.84 98.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.144 -0.973 . . . . 0.0 109.787 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.49 -54.43 36.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.65 -36.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.185 -0.947 . . . . 0.0 109.283 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.13 -41.4 98.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.61 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -64.67 -38.19 95.34 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.44 -47.34 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -1.148 . . . . 0.0 110.146 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.28 -38.53 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.994 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -39.53 68.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 0.0 109.499 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 13' ' ' GLY . 32.8 m -67.07 -40.24 86.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.067 -1.02 . . . . 0.0 109.945 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.86 83.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 0.0 109.897 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.47 -33.05 74.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.0 109.655 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.73 -50.65 64.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -0.975 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.17 -40.68 98.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.95 . . . . 0.0 109.813 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -54.3 -40.25 67.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.069 -1.019 . . . . 0.0 109.439 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.59 -32.28 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.406 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.75 -31.68 62.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.752 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.6 151.69 21.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.304 -0.872 . . . . 0.0 109.546 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.1 p -158.0 165.72 34.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.584 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -78.32 149.32 33.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -61.01 -31.15 70.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.243 -0.911 . . . . 0.0 109.43 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.53 146.01 26.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 109.51 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.501 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . 0.726 ' OD1' ' HB2' ' A' ' -3' ' ' ASP . 12.0 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 87.9 p -153.12 165.63 35.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.338 -0.851 . . . . 0.0 109.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -85.94 9.33 17.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.165 -0.959 . . . . 0.0 109.928 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.12 -36.49 84.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.981 -1.075 . . . . 0.0 108.993 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 9.9 t -55.21 -28.03 50.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.492 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.61 -25.73 66.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.49 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.8 -41.96 77.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.36 -45.73 86.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -61.48 -37.0 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.281 -0.887 . . . . 0.0 109.292 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.42 -52.99 49.91 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.64 -50.66 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -1.207 . . . . 0.0 109.35 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.62 -39.28 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.086 -1.009 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.22 -55.49 21.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.46 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -54.38 -38.59 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 109.095 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -56.7 -44.32 81.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.354 -0.841 . . . . 0.0 109.148 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.18 -39.63 97.28 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.68 -46.96 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.132 -1.216 . . . . 0.0 109.88 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.65 -37.01 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.159 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -46.28 59.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.063 -1.023 . . . . 0.0 109.215 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -58.14 -38.78 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 0.0 109.796 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.24 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.227 -0.921 . . . . 0.0 110.11 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.67 -33.21 75.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.105 -0.997 . . . . 0.0 109.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -64.37 -49.42 71.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.0 109.575 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.57 -40.48 89.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 0.0 109.833 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.49 -39.5 70.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.97 -1.081 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.24 -31.62 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.436 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -56.06 -44.92 79.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.548 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.427 ' O ' ' OG ' ' B' ' 26' ' ' SER . 88.1 m-85 -77.39 -27.48 52.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.652 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 25' ' ' PHE . 24.1 p 54.34 97.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 109.423 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -59.86 -33.99 72.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.211 -0.931 . . . . 0.0 109.538 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.0 m -59.77 -41.17 90.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.255 -0.903 . . . . 0.0 109.886 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.19 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 0.0 109.566 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.9 t0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.469 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 90.1 p -161.02 153.36 20.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -91.97 18.38 7.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.452 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.86 -39.43 83.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t -56.56 -45.02 81.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 109.57 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.76 -24.69 65.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.68 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.38 -40.98 98.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 109.483 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.62 -45.03 88.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 109.037 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 87.2 m-20 -59.17 -39.66 83.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -50.06 66.6 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.8 -46.15 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -1.185 . . . . 0.0 109.751 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.17 -43.11 99.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.082 -1.011 . . . . 0.0 109.607 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -61.7 -53.4 56.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.541 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 11' ' ' ILE . 96.7 mt -56.98 -37.53 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.244 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.34 -42.17 86.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.365 -0.835 . . . . 0.0 109.431 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.96 -40.74 93.48 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.68 -44.58 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.051 -1.264 . . . . 0.0 109.955 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.94 -42.51 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.066 -1.021 . . . . 0.0 110.004 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.71 84.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 108.659 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 m -60.31 -39.92 88.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.78 83.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -66.36 -30.81 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 109.643 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -67.87 -51.36 49.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.056 -1.027 . . . . 0.0 109.875 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.35 -36.46 82.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 110.082 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -57.6 -42.34 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.016 -1.052 . . . . 0.0 109.667 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.17 -33.0 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.471 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.31 -33.83 54.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 109.579 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.272 ' HD1' ' OXT' ' A' ' 30' ' ' ASP . 88.6 m-85 -89.48 7.17 37.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.13 -0.981 . . . . 0.0 109.765 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 t -58.51 -32.56 68.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.93 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -57.6 -41.39 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 109.858 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.97 ' OG ' ' OD1' ' A' ' 30' ' ' ASP . 60.1 p -164.04 -179.16 6.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.505 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.15 75.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.947 . . . . 0.0 109.67 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.272 ' OXT' ' HD1' ' A' ' 25' ' ' PHE . 41.0 p-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.607 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 22.0 m -70.56 -27.74 64.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.551 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -81.0 16.34 1.52 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.312 -0.868 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.1 tp -52.99 -38.38 62.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 t -59.91 -43.73 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.703 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -58.77 -27.12 64.69 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.342 -0.849 . . . . 0.0 109.657 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 tp -62.03 -37.24 84.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.953 . . . . 0.0 109.519 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.42 -43.93 96.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 87.8 m-20 -62.21 -40.48 96.23 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 109.664 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.94 -48.85 84.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 82.4 mt -67.6 -47.7 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.24 -1.153 . . . . 0.0 109.931 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.09 -40.61 90.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.06 -1.025 . . . . 0.0 109.821 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.02 -53.74 53.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.171 -0.956 . . . . 0.0 109.778 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.12 -38.34 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.195 -0.941 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.48 -40.71 92.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.21 -0.931 . . . . 0.0 109.4 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.69 99.69 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.77 -44.78 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.252 -1.146 . . . . 0.0 110.006 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.78 -38.7 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.931 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -39.28 73.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.072 -1.017 . . . . 0.0 109.095 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -68.64 -39.61 80.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.15 74.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 109.657 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.8 -32.35 72.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.988 . . . . 0.0 109.358 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -66.16 -50.5 63.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.27 -40.56 96.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.904 . . . . 0.0 109.298 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -51.8 -39.36 58.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.6 t -73.51 -29.76 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -57.29 -39.54 75.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 109.485 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -92.92 125.71 37.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 72.2 p -73.76 -22.68 59.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.208 -0.932 . . . . 0.0 109.442 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 51.85 -99.64 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.365 -0.834 . . . . 0.0 109.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -63.89 166.26 7.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.258 -0.901 . . . . 0.0 109.804 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.83 154.07 34.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.374 -0.829 . . . . 0.0 109.262 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 47.2 t0 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.468 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.5 m 49.89 29.29 3.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 52.45 51.25 16.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 109.595 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.2 -40.55 90.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 t -56.56 -38.93 72.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.64 -22.98 9.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 109.575 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.42 -39.17 91.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.533 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.74 -43.64 92.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.13 -0.981 . . . . 0.0 109.236 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.8 m-20 -63.38 -39.08 93.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.38 -52.56 52.0 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.413 HD12 HG23 ' A' ' 8' ' ' ILE . 88.7 mt -64.62 -52.99 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.229 -1.159 . . . . 0.0 109.985 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.9 mt -58.91 -43.09 91.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.801 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.76 -56.53 16.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 HD13 HG22 ' A' ' 11' ' ' ILE . 97.6 mt -53.22 -38.39 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.199 -0.938 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.12 -40.27 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 109.571 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.65 -41.33 99.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.72 -47.48 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -1.174 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -38.91 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.978 . . . . 0.0 110.15 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -42.77 68.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.949 -1.095 . . . . 0.0 109.364 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -64.61 -39.09 93.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.723 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.66 79.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.0 109.754 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.7 -32.84 74.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.548 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.21 -51.29 59.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.17 -0.956 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.05 -39.26 94.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -57.52 -42.58 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.564 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.06 -36.42 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -57.49 -42.31 82.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.372 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -84.82 -86.87 0.12 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.349 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -152.0 150.35 29.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.333 -0.854 . . . . 0.0 109.257 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -60.7 -36.79 79.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.411 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -92.6 147.64 22.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.844 . . . . 0.0 109.582 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' O ' ' OXT' ' A' ' 30' ' ' ASP . . . -159.32 152.48 22.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 0.0 109.402 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OXT' ' O ' ' A' ' 29' ' ' ALA . 14.5 p30 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.52 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 54.4 m -73.59 167.25 21.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.679 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 53.64 31.93 13.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.364 -0.835 . . . . 0.0 109.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.08 -40.33 94.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.323 -0.861 . . . . 0.0 109.147 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.94 -34.38 73.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.253 -0.904 . . . . 0.0 109.332 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.72 -25.03 66.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.74 -39.68 91.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 109.187 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 108.992 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.5 m-20 -63.08 -37.53 87.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.0 109.51 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -50.49 66.96 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -48.8 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -1.21 . . . . 0.0 109.565 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.2 -41.38 99.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.104 -0.997 . . . . 0.0 109.409 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.32 -56.32 19.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.407 HD13 HG23 ' B' ' 11' ' ' ILE . 96.8 mt -53.58 -40.92 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 0.0 108.96 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.88 -42.1 83.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.347 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.48 95.24 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.79 -50.22 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -1.183 . . . . 0.0 110.197 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.75 -42.07 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -44.86 82.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.054 -1.029 . . . . 0.0 108.929 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m -60.68 -40.01 90.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.91 71.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.752 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.44 -33.01 74.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 109.48 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.43 -51.22 59.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.94 -39.68 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.972 . . . . 0.0 109.615 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.527 ' O ' ' NE ' ' B' ' 22' ' ' ARG . 8.7 tpm_? -57.42 -34.06 68.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -86.27 -30.25 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.104 -0.997 . . . . 0.0 109.602 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -53.01 -38.0 61.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.04 131.04 45.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.937 . . . . 0.0 109.263 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -148.16 160.42 42.94 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.271 -0.893 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -157.08 166.94 31.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.174 -0.954 . . . . 0.0 109.565 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -52.09 -32.4 34.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.471 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.42 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . 51.36 -98.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.291 -0.881 . . . . 0.0 109.48 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 58.1 p30 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.468 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' -1' ' ' LYS . 97.6 m-20 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.1 m 48.34 19.13 0.2 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 109.514 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' -3' ' ' ASP . 67.3 mttm 52.03 45.72 27.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.885 . . . . 0.0 109.466 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.89 -40.19 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.45 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.16 -38.8 18.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.127 -0.983 . . . . 0.0 109.436 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.36 -28.23 68.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.265 -0.897 . . . . 0.0 109.594 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.3 tp -65.78 -39.5 91.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.94 -41.59 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.167 -0.958 . . . . 0.0 108.907 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 94.6 m-20 -63.32 -39.0 93.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 0.0 109.65 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 -51.7 57.12 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 -50.29 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.199 -1.177 . . . . 0.0 109.62 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.75 -41.52 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.737 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.56 -55.27 25.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.674 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.47 -38.51 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.198 -0.939 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -59.99 -42.52 94.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 0.0 109.2 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.19 -40.3 98.8 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.92 -43.85 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -1.12 . . . . 0.0 109.78 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -72.27 -39.95 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.134 -0.978 . . . . 0.0 110.239 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -39.17 80.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.23 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 m -69.31 -40.32 77.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.074 -1.016 . . . . 0.0 109.793 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.09 86.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.056 -1.027 . . . . 0.0 109.711 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.53 -34.37 77.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.157 -0.964 . . . . 0.0 109.44 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -64.64 -52.8 55.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.097 -1.002 . . . . 0.0 109.646 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -41.19 91.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.448 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -54.43 -40.21 68.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.932 . . . . 0.0 109.223 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.69 -37.8 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.376 -0.827 . . . . 0.0 109.644 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -55.77 -39.91 71.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.181 -0.95 . . . . 0.0 109.13 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -163.75 166.83 21.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.677 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -157.05 -21.73 0.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.0 109.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -54.33 -41.87 69.52 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.28 -0.887 . . . . 0.0 109.049 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -64.79 -34.96 79.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.23 142.88 9.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.454 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.256 -179.75 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' -2' ' ' SER . 38.8 p30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' SER . . . . . 0.513 ' N ' ' OD1' ' B' ' -3' ' ' ASP . 12.3 m -56.54 -34.61 67.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.963 . . . . 0.0 109.483 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.11 25.16 2.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.757 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 tp -55.94 -41.09 74.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.202 -0.937 . . . . 0.0 109.06 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 43.3 t -57.69 -34.07 69.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.229 -0.919 . . . . 0.0 109.278 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.73 -23.94 60.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.358 -0.839 . . . . 0.0 109.37 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.85 -40.27 91.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 0.0 109.288 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.25 -46.18 91.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.898 . . . . 0.0 109.216 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 92.7 m-20 -59.54 -38.08 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.204 -0.935 . . . . 0.0 109.534 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.39 -51.55 57.24 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.43 -56.85 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.156 -1.202 . . . . 0.0 109.825 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.23 -43.03 74.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.551 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.81 -55.04 37.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -0.95 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.401 HG22 HD13 ' B' ' 11' ' ' ILE . 97.3 mt -55.83 -38.11 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.416 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -58.24 -42.5 86.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.567 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.22 92.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.06 -45.09 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -1.149 . . . . 0.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.11 -33.14 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.162 -0.961 . . . . 0.0 110.114 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -46.02 41.54 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.164 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.51 -39.35 87.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 110.026 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.97 87.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.813 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.59 -33.5 75.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.138 -0.976 . . . . 0.0 109.855 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.58 -51.74 64.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.947 -1.096 . . . . 0.0 109.767 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.79 -38.38 88.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.012 -1.055 . . . . 0.0 109.698 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -56.62 -44.87 81.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 0.0 109.481 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.76 -31.94 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.376 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.42 -44.96 85.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 0.0 109.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -157.07 161.0 39.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.135 -0.978 . . . . 0.0 109.81 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 86.6 p -156.8 161.97 39.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.341 -0.849 . . . . 0.0 109.353 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.62 -31.49 72.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.956 . . . . 0.0 109.705 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.9 m -53.32 143.29 19.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.503 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.28 155.45 30.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.507 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 p30 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.534 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.328 0.585 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.0 m 53.11 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.242 -0.911 . . . . 0.0 109.468 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.84 14.82 5.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 0.0 109.589 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.16 -35.92 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.377 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -56.38 -35.37 67.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.205 -0.934 . . . . 0.0 109.612 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -60.5 -31.42 70.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.35 -37.0 85.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.174 -0.954 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 109.534 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.1 m-20 -61.85 -39.16 90.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 0.0 109.687 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -50.96 61.87 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.83 -44.94 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.187 -1.184 . . . . 0.0 109.569 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.24 -40.66 81.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.145 -0.972 . . . . 0.0 109.327 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.8 -55.86 19.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.495 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.87 -39.3 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.173 -0.954 . . . . 0.0 109.106 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.39 -40.88 83.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.685 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.44 -37.7 90.36 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.32 -45.9 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -1.192 . . . . 0.0 110.193 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.28 -40.76 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.012 -1.055 . . . . 0.0 110.003 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -45.33 77.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.076 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.509 ' HG1' ' HH ' ' B' ' 12' ' ' TYR . 32.1 m -59.84 -40.33 88.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 109.871 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.5 69.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.941 . . . . 0.0 109.649 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.05 -33.3 75.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.175 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -65.11 -50.57 65.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.183 -0.948 . . . . 0.0 109.372 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.9 -46.24 88.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.232 -0.917 . . . . 0.0 109.611 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -52.82 -39.0 62.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.281 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.87 -35.94 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.533 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -54.78 -50.81 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.366 -0.834 . . . . 0.0 109.457 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -86.24 122.91 30.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 0.0 109.656 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -71.48 -19.53 62.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.373 -0.829 . . . . 0.0 109.71 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -50.72 -34.14 25.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.134 -0.979 . . . . 0.0 109.251 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 m -71.86 138.92 48.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.22 -0.925 . . . . 0.0 109.256 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.64 122.2 29.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.545 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 50.1 p-10 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.42 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 42.5 p30 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.222 0.534 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 64.2 m -70.27 159.58 33.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.115 -0.99 . . . . 0.0 109.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -79.82 9.33 5.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.38 -32.95 71.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.6 -36.61 64.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 0.0 109.543 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -56.36 -27.37 55.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.9 . . . . 0.0 109.552 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.0 -37.3 87.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.608 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.57 -46.95 86.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.968 . . . . 0.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.1 m-20 -61.11 -36.94 81.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.0 109.685 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.29 66.92 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.93 -48.48 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.241 . . . . 0.0 109.819 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.34 -41.95 98.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.136 -0.978 . . . . 0.0 109.653 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.52 -53.83 51.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 109.646 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.4 HG22 HD13 ' B' ' 11' ' ' ILE . 96.7 mt -55.63 -39.38 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.0 109.222 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.509 ' HH ' ' HG1' ' A' ' 17' ' ' THR . 87.8 t80 -60.39 -41.29 93.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.29 99.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.57 -46.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -1.159 . . . . 0.0 109.824 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.54 -34.98 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.163 -0.961 . . . . 0.0 110.104 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -41.44 59.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 0.0 109.4 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -66.33 -38.4 87.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.71 76.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.207 -0.933 . . . . 0.0 109.781 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.97 -33.66 75.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.141 -0.974 . . . . 0.0 109.516 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.48 -50.23 64.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.61 -42.65 86.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.108 -0.995 . . . . 0.0 110.049 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.997 ' HG2' ' HG ' ' B' ' 28' ' ' SER . 65.0 ttt180 -54.78 -41.27 70.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 109.627 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.6 -35.05 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.384 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.21 -41.12 92.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.133 -0.98 . . . . 0.0 109.338 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -95.73 124.15 39.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.35 -0.844 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -73.19 -16.75 61.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.519 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -58.67 -36.59 74.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -0.961 . . . . 0.0 109.376 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.997 ' HG ' ' HG2' ' B' ' 22' ' ' ARG . 72.0 p -63.4 -37.95 89.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 109.255 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.2 -42.49 37.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.292 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 7.6 t70 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.473 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' -2' ' ' SER . 58.7 t0 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.463 ' N ' ' OD1' ' A' ' -3' ' ' ASP . 16.8 m -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -80.8 10.29 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 57.3 tp -52.81 -40.52 63.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OD2' ' A' ' 6' ' ' ASP . 10.3 t -60.94 -25.47 66.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.546 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.85 -25.98 66.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.284 -0.885 . . . . 0.0 109.61 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.2 tp -77.91 -48.68 15.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.32 -47.19 77.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 109.353 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.455 ' OD2' ' SG ' ' A' ' 2' ' ' CYS . 76.8 m-20 -61.05 -38.13 85.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 0.0 109.332 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.45 52.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.8 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -1.234 . . . . 0.0 109.937 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -57.97 -43.46 86.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.034 -1.041 . . . . 0.0 109.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.02 -55.52 31.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 109.492 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 11' ' ' ILE . 97.1 mt -55.43 -38.66 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.148 -0.97 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.709 ' HH ' ' HG1' ' B' ' 17' ' ' THR . 64.5 t80 -60.25 -39.04 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 0.0 109.637 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.72 -40.63 97.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.55 -44.17 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -1.152 . . . . 0.0 110.084 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.06 -36.49 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.149 -0.969 . . . . 0.0 110.455 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -44.48 63.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.153 . . . . 0.0 109.432 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.2 m -67.07 -37.01 83.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 109.876 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.42 86.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.24 -0.912 . . . . 0.0 109.957 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.69 -31.69 72.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -66.54 -50.2 63.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.986 -1.071 . . . . 0.0 109.394 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.26 -39.93 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -56.66 -40.97 76.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.107 -0.996 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.56 -30.66 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.247 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -57.69 -36.84 72.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.168 -0.958 . . . . 0.0 109.391 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -96.2 149.9 21.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -156.27 -45.8 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 0.0 109.535 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -61.51 -38.43 87.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.283 -0.885 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.6 p 47.64 29.18 1.41 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 0.0 109.781 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.21 77.35 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.429 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.616 179.764 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.0 m -59.17 140.07 56.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 49.36 41.88 21.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.121 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 45.5 tp -54.6 -41.3 69.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.428 -0.795 . . . . 0.0 109.68 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.7 t -53.65 -38.04 63.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 109.623 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -56.98 -30.74 64.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tp -74.1 -44.83 52.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.323 -0.861 . . . . 0.0 109.422 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.42 -47.7 75.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.188 -0.945 . . . . 0.0 109.114 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.65 -35.76 80.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.2 -52.84 50.94 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.06 -53.31 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -1.205 . . . . 0.0 109.678 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.32 -43.39 88.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.491 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.18 -54.67 30.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.139 -0.976 . . . . 0.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.46 -39.36 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 109.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.26 -40.93 87.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.358 -0.839 . . . . 0.0 109.535 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.44 81.38 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.9 -46.09 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.237 . . . . 0.0 109.907 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.82 -42.43 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 109.966 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -45.03 86.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.068 -1.02 . . . . 0.0 108.973 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.709 ' HG1' ' HH ' ' A' ' 12' ' ' TYR . 25.5 m -61.41 -41.06 96.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 0.0 110.075 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.26 -51.63 68.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.48 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.5 -31.92 73.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -64.21 -50.55 67.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.016 -1.053 . . . . 0.0 109.461 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.24 -37.29 86.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 109.562 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.45 -38.53 69.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.108 -0.995 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -73.56 -32.63 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.366 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -61.77 -42.37 98.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 0.0 109.45 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.82 127.74 43.09 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 109.393 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t -57.5 -35.06 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.239 -0.913 . . . . 0.0 109.418 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.27 146.38 54.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.315 -0.866 . . . . 0.0 109.459 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -69.97 152.82 44.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.146 -0.971 . . . . 0.0 109.3 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.563 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . -57.85 119.65 7.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.25 -0.906 . . . . 0.0 109.138 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.563 ' OXT' ' O ' ' B' ' 29' ' ' ALA . 19.3 m-20 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.518 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 42.7 p30 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.298 0.57 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 1' ' ' LEU . 14.3 m -59.25 -32.13 69.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.243 -0.911 . . . . 0.0 109.783 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -69.68 10.47 0.37 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.4 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' -2' ' ' SER . 41.8 tp -62.64 -38.48 90.42 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 109.843 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 t -57.66 -34.31 69.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.907 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -57.86 -33.02 68.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.633 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.58 -39.51 80.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.257 -0.902 . . . . 0.0 109.672 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.49 -47.59 83.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.428 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -63.34 -38.61 91.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.916 . . . . 0.0 109.719 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.34 -49.67 74.02 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.53 -55.55 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.236 -1.155 . . . . 0.0 109.809 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 mt -59.24 -40.97 87.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.932 . . . . 0.0 109.608 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -58.22 7.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.862 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -36.72 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.51 -41.61 94.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.85 . . . . 0.0 109.653 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -41.0 92.38 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.07 -47.86 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -1.16 . . . . 0.0 110.122 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.34 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.963 . . . . 0.0 110.022 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -46.68 79.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.368 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -59.88 -40.71 89.64 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 110.105 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.36 77.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.104 -0.997 . . . . 0.0 109.674 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.02 -33.21 75.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.29 -53.03 59.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 0.0 109.61 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.91 -37.65 88.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.692 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.65 -41.42 70.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 0.0 109.473 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.26 -31.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -56.96 -34.2 67.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.948 . . . . 0.0 109.436 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.14 123.1 34.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.23 -0.919 . . . . 0.0 109.273 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -61.43 -43.2 99.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.283 -0.886 . . . . 0.0 109.622 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -58.42 -33.75 70.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 109.42 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 29' ' ' ALA . 34.9 t 48.84 -157.04 0.07 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.914 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' N ' ' OG ' ' A' ' 28' ' ' SER . . . -59.41 -39.19 82.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 109.511 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.403 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 41.8 p30 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 29.2 t -160.91 145.91 14.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.573 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 50.51 30.8 4.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.05 -36.86 85.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.7 -32.62 65.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 0.0 109.677 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -59.64 -24.67 64.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.092 -1.005 . . . . 0.0 109.335 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 tp -75.3 -45.25 40.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 0.0 109.448 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.11 -47.14 87.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.205 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.32 -34.99 77.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.66 44.37 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.23 -51.25 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.166 -1.196 . . . . 0.0 109.918 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.68 -42.71 97.68 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.635 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.26 -53.55 47.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.941 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -55.59 -42.85 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.96 . . . . 0.0 109.529 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -58.94 -38.31 78.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.313 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.83 -43.14 98.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -67.11 -47.47 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.277 -1.131 . . . . 0.0 110.472 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.82 -40.39 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -39.63 81.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.352 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.089 -1.007 . . . . 0.0 109.931 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -48.93 79.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.76 -35.24 75.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 109.709 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.05 -50.57 67.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.98 -42.4 99.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.196 -0.94 . . . . 0.0 109.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -55.11 -39.15 69.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.462 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.81 -27.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.438 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.2 -43.74 78.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 0.0 109.578 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -143.85 144.25 31.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 0.0 109.567 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -95.54 19.99 10.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.331 -0.856 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 53.69 -137.87 1.17 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.1 m 49.68 85.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 109.356 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.06 -35.11 23.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.247 -0.908 . . . . 0.0 109.537 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.573 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 41.3 p30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 75.3 m -143.57 143.97 31.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.223 -0.923 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -78.48 9.16 4.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.39 -35.57 77.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.139 -0.976 . . . . 0.0 109.288 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.57 -36.45 69.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 0.0 109.452 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.19 -26.51 62.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 108.96 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.28 -43.01 61.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.96 -47.93 72.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.133 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.88 83.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.127 -0.983 . . . . 0.0 109.231 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.43 67.08 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.25 -49.09 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 0.0 109.998 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.999 -1.063 . . . . 0.0 109.377 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.84 -53.82 44.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -54.52 -40.83 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 108.92 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -56.82 -42.67 79.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 0.0 109.275 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.69 95.98 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.95 -45.6 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -1.164 . . . . 0.0 110.198 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.79 -30.96 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 0.0 110.029 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -46.33 23.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.001 -1.062 . . . . 0.0 108.896 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.589 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.84 80.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.193 -0.942 . . . . 0.0 109.604 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.19 -29.59 68.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.235 -0.916 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.58 -53.05 53.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.113 -0.992 . . . . 0.0 109.613 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.77 -41.09 96.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -53.15 -43.05 66.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.144 -0.972 . . . . 0.0 109.63 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.52 -32.52 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.109 -0.994 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -58.71 -36.86 74.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 0.0 109.571 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.18 120.82 30.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.153 -0.967 . . . . 0.0 109.534 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -70.73 -37.16 73.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 109.788 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -57.55 -39.28 76.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.759 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m 49.7 27.99 2.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.156 -0.965 . . . . 0.0 109.441 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.43 77.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.644 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 t0 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.494 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' -2' ' ' SER . 37.5 p-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' B' ' -3' ' ' ASP . 10.7 t -77.41 152.05 34.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.882 . . . . 0.0 109.44 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.53 25.46 2.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 0.0 109.603 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.94 -36.29 82.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 t -50.75 -33.44 23.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.252 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.84 -27.96 69.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.356 -0.84 . . . . 0.0 109.277 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 54.5 tp -72.69 -43.1 63.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.15 -46.94 86.75 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.186 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.8 -36.38 74.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.196 -0.94 . . . . 0.0 109.285 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.76 59.79 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.43 -51.02 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.11 -1.229 . . . . 0.0 110.244 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.04 -42.35 99.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.128 -0.983 . . . . 0.0 109.632 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.81 -55.94 19.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.939 . . . . 0.0 109.579 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.97 -37.71 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.945 . . . . 0.0 109.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.76 -42.0 92.28 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.27 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.76 -40.76 99.62 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.73 -45.13 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.149 . . . . 0.0 110.031 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.15 -35.72 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.958 . . . . 0.0 109.988 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -42.52 36.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -66.69 -37.72 85.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.11 -0.994 . . . . 0.0 109.525 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.07 83.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 109.799 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 66.5 mt -64.59 -29.48 70.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -69.83 -51.08 36.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.005 -1.059 . . . . 0.0 110.117 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.69 -41.03 98.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.019 -1.051 . . . . 0.0 109.662 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -56.37 -38.88 72.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 109.121 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -68.27 -37.86 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.61 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -64.41 -40.91 96.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.981 . . . . 0.0 108.756 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 25' ' ' PHE . 36.2 p90 -157.54 162.54 38.82 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -151.48 145.35 25.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.103 -0.998 . . . . 0.0 109.577 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -71.75 -22.55 61.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.296 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -62.15 163.3 8.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.82 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.19 -1.62 0.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.213 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.813 -1.089 . . . . 0.0 109.299 -179.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 41.7 t -58.52 -28.9 65.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.212 -0.93 . . . . 0.0 109.411 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.89 14.95 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.31 -0.869 . . . . 0.0 109.549 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 57.6 tp -52.78 -41.88 64.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.219 -0.926 . . . . 0.0 109.229 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.73 -33.01 66.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 109.024 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.55 -27.39 69.14 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.083 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.34 -42.7 65.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.383 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.55 -44.41 70.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 0.0 109.406 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.42 -38.57 91.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 0.0 109.673 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.38 -49.97 72.78 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.03 -52.56 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -1.206 . . . . 0.0 109.93 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.88 -42.44 97.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.099 -1.001 . . . . 0.0 109.57 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.09 -56.38 17.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 0.0 109.708 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.23 -38.91 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.196 -0.94 . . . . 0.0 109.208 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -58.13 -41.86 84.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -64.78 -39.65 96.78 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.56 -45.27 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.305 -1.115 . . . . 0.0 110.099 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -68.86 -42.28 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.144 -0.972 . . . . 0.0 110.013 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -37.83 86.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.276 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 13' ' ' GLY . 29.9 m -68.57 -40.16 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.123 -0.986 . . . . 0.0 109.883 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 109.754 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.0 -34.97 79.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 109.761 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.8 -48.94 74.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.022 -1.049 . . . . 0.0 109.79 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.89 -36.6 83.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' PHE . 40.8 ttp180 -58.07 -44.33 87.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.083 -1.011 . . . . 0.0 109.999 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.13 -31.33 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.048 -1.032 . . . . 0.0 109.645 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.33 -36.92 76.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.656 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' ARG . 38.3 p90 -155.64 161.95 40.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.164 -0.96 . . . . 0.0 109.571 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.9 p -157.18 160.44 38.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -72.09 132.35 44.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -60.23 159.23 10.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.853 . . . . 0.0 109.443 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.462 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 16.6 m -59.06 -41.01 86.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 51.69 43.72 29.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.0 -41.03 77.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.259 -0.9 . . . . 0.0 109.441 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 47.6 t -57.51 -35.81 70.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 109.482 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.66 -28.11 68.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.413 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -74.46 -41.67 60.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 0.0 109.294 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.73 -46.63 81.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.08 -39.15 93.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 109.986 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.62 64.56 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.68 -53.21 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.104 -1.233 . . . . 0.0 109.923 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.46 -43.29 93.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.051 . . . . 0.0 109.521 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.55 -53.14 60.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.224 -0.923 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.6 -38.06 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 109.258 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.03 -42.93 86.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 109.506 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.9 95.44 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.93 -47.07 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -1.211 . . . . 0.0 110.058 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.15 -43.58 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.129 -0.982 . . . . 0.0 109.83 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -43.7 94.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.047 -1.033 . . . . 0.0 108.666 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -60.2 -39.21 85.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 109.788 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.56 75.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.947 . . . . 0.0 109.839 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.49 -31.58 72.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.32 -50.99 63.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.833 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.07 -36.42 84.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.103 -0.998 . . . . 0.0 109.942 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -53.39 -40.51 65.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.09 -1.006 . . . . 0.0 109.343 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.23 -37.54 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.79 -30.99 71.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.231 -0.918 . . . . 0.0 109.612 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -98.24 137.6 36.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -149.76 159.48 44.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.852 . . . . 0.0 109.361 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -65.9 136.32 55.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.563 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -80.32 157.67 26.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.845 . . . . 0.0 109.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.51 49.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.408 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.444 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 1' ' ' LEU . 34.2 t -55.67 -26.35 44.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.51 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -73.56 8.93 1.57 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 0.0 109.527 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' -2' ' ' SER . 62.0 tp -62.04 -32.25 72.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.05 -1.031 . . . . 0.0 109.356 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.58 -37.92 88.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -57.17 -28.83 63.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.63 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.37 -46.78 59.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 0.0 109.76 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.92 -48.92 79.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.01 . . . . 0.0 109.344 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -59.22 -36.91 76.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.093 -1.004 . . . . 0.0 109.715 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.87 62.72 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.33 -52.9 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.253 . . . . 0.0 110.073 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.15 -42.24 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 109.746 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.77 -55.54 22.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.026 -1.046 . . . . 0.0 109.464 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.4 -40.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.069 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -55.6 -43.43 76.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.414 -0.804 . . . . 0.0 109.602 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.16 -37.41 91.38 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.29 -46.89 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.065 -1.256 . . . . 0.0 110.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.01 -36.61 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -0.988 . . . . 0.0 109.894 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -43.97 64.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 108.982 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 m -60.81 -38.55 85.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.0 109.656 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.47 64.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.112 -0.992 . . . . 0.0 109.785 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.1 -32.52 73.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -0.926 . . . . 0.0 109.468 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -65.49 -51.1 62.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.107 -0.995 . . . . 0.0 109.731 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.68 -41.07 98.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.903 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -55.21 -39.19 69.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.036 -1.04 . . . . 0.0 109.416 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.54 -29.87 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.92 . . . . 0.0 109.462 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -57.91 -39.24 77.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.23 -0.919 . . . . 0.0 109.679 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -151.54 164.08 37.61 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.429 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -154.28 155.08 34.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.176 -0.952 . . . . 0.0 109.572 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -56.37 -32.77 65.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -56.75 -24.57 50.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.654 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.04 69.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.495 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.7 t0 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.033 -0.985 . . . . 0.0 109.437 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' B' ' -3' ' ' ASP . 28.6 p-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.235 0.541 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' SER . . . . . 0.424 ' C ' ' H ' ' B' ' 1' ' ' LEU . 58.7 m -63.98 166.96 6.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 0.0 109.534 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -62.04 -5.2 2.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' B' ' -2' ' ' SER . 11.6 tp -52.86 -35.79 58.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.09 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -56.64 -33.5 66.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -0.895 . . . . 0.0 109.202 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.23 -26.97 68.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 tp -68.49 -45.92 71.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.7 -45.0 94.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 0.0 109.2 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.42 -36.84 81.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.611 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.31 -51.16 58.49 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.2 -46.64 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.14 -1.212 . . . . 0.0 109.845 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.66 -41.77 95.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -0.993 . . . . 0.0 109.563 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -63.27 -54.08 42.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 0.0 109.466 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.15 -36.58 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 109.072 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -60.81 -42.44 97.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.405 -0.809 . . . . 0.0 109.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.91 96.52 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.75 -46.3 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -1.181 . . . . 0.0 109.935 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.53 -36.31 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.062 -1.024 . . . . 0.0 110.007 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -42.58 58.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 109.389 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -67.17 -38.31 85.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -0.961 . . . . 0.0 109.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.43 85.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.727 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.92 -32.84 74.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -64.82 -51.07 64.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.061 -1.025 . . . . 0.0 109.676 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.707 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -54.93 -41.17 70.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t -70.87 -34.66 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.92 -38.68 70.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.575 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -103.11 128.96 49.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.389 -0.819 . . . . 0.0 109.693 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.538 ' O ' ' N ' ' B' ' 28' ' ' SER . 11.7 m -78.26 169.85 17.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.244 -0.91 . . . . 0.0 109.019 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.42 ' O ' ' OG ' ' B' ' 28' ' ' SER . 65.4 ttt180 56.99 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.666 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.538 ' N ' ' O ' ' B' ' 26' ' ' SER . 27.5 p 46.57 32.0 1.53 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.082 -1.011 . . . . 0.0 109.688 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.75 -34.9 76.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.513 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.423 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.8 t -154.18 151.17 28.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.921 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 52.69 48.91 21.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.777 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.5 -39.85 92.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.254 -0.904 . . . . 0.0 109.446 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.7 t -53.46 -33.25 53.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -61.24 -28.82 69.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.167 -0.958 . . . . 0.0 109.414 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.05 -38.89 92.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 0.0 109.235 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 10.7 mp -67.31 -40.42 86.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 80.2 m-20 -61.46 -40.78 95.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.145 -0.972 . . . . 0.0 109.52 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -49.71 69.56 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.25 -47.15 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -1.174 . . . . 0.0 110.015 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.32 -41.67 96.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.714 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -62.87 -54.91 31.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.0 109.788 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 11' ' ' ILE . 97.0 mt -53.61 -40.94 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -58.66 -41.3 85.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.727 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.77 96.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.33 -44.95 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 110.066 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.66 -35.09 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.3 60.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.04 . . . . 0.0 109.235 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.2 m -67.18 -39.02 86.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.161 -0.962 . . . . 0.0 109.667 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -49.66 76.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.792 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.83 -32.75 74.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.767 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.67 -50.78 61.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.51 -42.95 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -54.86 -40.59 69.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -75.59 -34.71 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -56.96 -42.66 80.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 109.826 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -65.38 -28.79 69.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.439 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -71.96 -5.72 36.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.308 -0.87 . . . . 0.0 109.736 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.582 HH11 ' CG ' ' A' ' 27' ' ' ARG . 3.2 mtt-85 51.46 -157.97 0.11 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 0.0 109.392 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -148.18 139.67 23.61 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 109.623 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.49 73.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.782 . . . . 0.0 109.457 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.48 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 63.3 m -61.92 153.91 27.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 0.0 109.51 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -84.46 9.98 12.0 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.288 -0.882 . . . . 0.0 109.528 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.1 -37.0 68.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.121 -0.987 . . . . 0.0 109.203 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 37.4 t -56.12 -38.47 70.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.87 . . . . 0.0 109.468 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -54.56 -25.83 28.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.283 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -63.97 -38.67 91.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.258 -0.902 . . . . 0.0 109.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.07 -42.6 99.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.336 -0.853 . . . . 0.0 108.982 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 94.2 m-20 -63.9 -38.12 89.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 0.0 109.512 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.49 -51.14 60.55 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.96 -54.53 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -1.147 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.82 -41.67 78.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.436 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.84 -57.62 10.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.81 -41.61 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.201 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -56.07 -43.83 78.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.213 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.11 -40.69 95.14 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.31 -46.56 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -1.181 . . . . 0.0 109.779 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.64 -36.33 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.94 . . . . 0.0 109.951 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -45.5 65.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.996 -1.065 . . . . 0.0 109.025 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.2 m -61.92 -38.62 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.644 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.74 80.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 109.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 32.9 mt -66.85 -33.99 76.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.459 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -63.38 -52.42 61.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.079 -1.013 . . . . 0.0 109.591 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.59 -36.57 84.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.105 -0.997 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -58.74 -40.39 83.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t -73.71 -31.37 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.205 -0.935 . . . . 0.0 109.435 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.52 -40.56 83.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.955 . . . . 0.0 109.437 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -152.76 160.68 43.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.228 -0.92 . . . . 0.0 109.591 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.5 m -154.75 -10.86 0.13 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.276 -0.89 . . . . 0.0 109.195 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.48 136.45 54.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.0 109.268 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t 50.65 73.44 0.28 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.305 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -27.38 66.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.472 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.494 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.1 m -65.8 153.67 41.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.332 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.78 9.04 6.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 109.577 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.66 -43.27 80.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 0.0 109.578 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.09 -34.66 75.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.973 . . . . 0.0 109.691 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.63 -22.62 57.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.8 tp -76.17 -45.84 31.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.95 -46.23 78.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.19 -0.944 . . . . 0.0 109.463 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 95.1 m-20 -62.15 -37.8 86.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.68 43.88 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.87 -53.96 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.1 -1.236 . . . . 0.0 109.642 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.68 -43.17 94.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.491 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.98 -54.06 44.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.951 . . . . 0.0 109.714 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.74 -39.48 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.058 -1.026 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.22 -42.4 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.671 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.58 90.23 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.17 -47.85 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -1.176 . . . . 0.0 110.019 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.04 -43.87 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.063 -1.023 . . . . 0.0 109.952 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.57 97.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -0.979 . . . . 0.0 108.972 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -60.39 -40.63 91.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 110.003 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.46 73.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.092 -1.005 . . . . 0.0 109.831 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.49 -32.82 74.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 109.697 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.79 -53.19 59.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.04 -1.038 . . . . 0.0 109.63 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.25 -38.7 92.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.139 -0.976 . . . . 0.0 109.539 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.06 -42.21 65.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.549 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -75.12 -31.31 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.489 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -58.48 -37.9 76.49 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.836 . . . . 0.0 109.916 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -88.5 134.26 33.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.002 -1.061 . . . . 0.0 109.409 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -77.23 157.17 30.99 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.357 -0.839 . . . . 0.0 109.363 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -141.13 164.59 29.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 29' ' ' ALA . 15.2 t -145.36 142.61 29.53 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.311 -0.868 . . . . 0.0 109.18 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' SER . . . 49.37 -175.59 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.467 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.622 -179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 54.1 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 38.2 m -61.84 -26.42 68.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 0.0 109.57 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -81.92 11.32 5.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.326 -0.859 . . . . 0.0 109.588 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.45 -37.38 83.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.987 . . . . 0.0 109.839 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -55.56 -37.43 68.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.106 -0.996 . . . . 0.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.49 -28.03 69.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.163 -0.961 . . . . 0.0 109.584 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.84 -43.34 72.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 0.0 109.59 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.08 -45.41 81.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.064 -1.023 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 90.7 m-20 -60.89 -38.7 86.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.13 -52.34 53.89 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.34 -51.06 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 0.0 109.721 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.45 -43.12 99.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.122 -0.986 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.25 -56.4 18.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.191 -0.943 . . . . 0.0 109.426 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.413 HG21 HD13 ' B' ' 11' ' ' ILE . 97.1 mt -54.67 -40.08 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 108.959 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -57.43 -40.34 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.95 -41.65 99.67 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -68.3 -43.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.233 -1.157 . . . . 0.0 110.163 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -70.12 -38.39 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -41.75 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 108.975 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.8 m -66.91 -38.31 85.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 109.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 110.0 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.09 -35.3 76.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.155 -0.966 . . . . 0.0 109.553 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.8 -51.48 61.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.93 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.99 -35.67 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.108 -0.995 . . . . 0.0 110.129 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -56.65 -43.51 80.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.04 -1.037 . . . . 0.0 109.776 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.42 -29.03 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.0 109.822 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -61.12 -54.1 48.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.34 -36.21 71.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' ARG . 6.5 t -60.56 -49.56 77.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.962 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' B' ' 26' ' ' SER . 45.9 ttp180 46.35 94.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.267 -0.895 . . . . 0.0 109.736 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -145.4 159.15 43.51 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.3 -0.875 . . . . 0.0 109.383 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.87 144.88 55.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.339 -0.851 . . . . 0.0 109.374 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 1.033 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 2.3 p30 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.117 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 54.2 m -60.04 -31.03 69.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -79.38 8.82 5.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 109.213 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 53.0 tp -70.57 -37.58 74.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.311 -0.868 . . . . 0.0 109.435 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.4 t -56.19 -32.47 64.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 109.478 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -59.19 -27.39 65.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.952 . . . . 0.0 109.411 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.8 tp -70.97 -41.94 70.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.919 . . . . 0.0 109.281 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.98 -45.19 94.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.211 -0.931 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -63.42 -37.46 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.458 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.16 -51.68 57.36 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.99 -52.45 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -1.228 . . . . 0.0 109.506 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.01 -42.14 98.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.21 -54.49 36.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 0.0 109.68 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -56.17 -39.97 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.173 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.15 -40.21 76.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.384 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.52 98.97 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.59 -43.55 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.15 -1.206 . . . . 0.0 109.847 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.23 -41.82 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.925 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -40.92 80.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.138 -0.977 . . . . 0.0 109.36 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 m -70.19 -36.75 74.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.025 -1.047 . . . . 0.0 109.756 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.22 82.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.11 -32.78 74.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.464 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.57 -51.4 65.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.968 . . . . 0.0 109.735 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.06 -37.81 88.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.721 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -57.97 -39.55 78.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 0.0 109.619 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.8 t -74.58 -28.66 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.915 . . . . 0.0 109.551 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -51.8 -40.37 60.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 0.0 109.494 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -93.56 123.81 37.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.215 -0.928 . . . . 0.0 109.54 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -80.29 134.78 36.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' SER . 98.8 mtt180 45.75 -116.52 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.269 -0.894 . . . . 0.0 109.771 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 30' ' ' ASP . 2.0 t 51.96 176.83 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 109.788 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . . . 57.78 3.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.649 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 28' ' ' SER . 36.2 p-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.528 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 16.9 p -75.48 155.85 35.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.403 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -69.47 -29.33 66.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.273 -0.892 . . . . 0.0 109.63 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.45 -41.24 98.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.213 -0.93 . . . . 0.0 109.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t -61.52 -35.46 77.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.75 -28.69 68.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.68 -41.87 78.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -47.98 81.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.252 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.34 -38.75 84.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.06 -49.28 80.15 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.9 -55.05 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -1.199 . . . . 0.0 109.953 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.06 -41.82 88.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.148 -0.97 . . . . 0.0 109.572 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.51 -55.17 30.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.169 -0.957 . . . . 0.0 109.596 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.58 -41.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 109.156 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -55.11 -43.57 74.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.231 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.93 93.35 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.49 -46.92 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -1.188 . . . . 0.0 109.847 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.71 -38.33 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.131 -0.981 . . . . 0.0 110.009 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -43.3 78.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.993 -1.067 . . . . 0.0 108.863 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 -38.86 90.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.01 . . . . 0.0 109.427 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.21 66.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.435 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.01 -33.33 75.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -50.94 70.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.062 -1.024 . . . . 0.0 109.44 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.4 -38.74 90.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -55.54 -40.26 71.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.408 ' O ' ' OG ' ' B' ' 26' ' ' SER . 77.7 t -60.1 -37.21 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 109.114 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.92 -39.09 76.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.19 -0.944 . . . . 0.0 109.315 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -68.59 -32.52 72.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -0.92 . . . . 0.0 109.104 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.441 ' HG ' ' N ' ' B' ' 27' ' ' ARG . 89.6 p -61.82 -29.82 70.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 109.518 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.441 ' N ' ' HG ' ' B' ' 26' ' ' SER . 95.6 mtt180 -60.77 153.86 23.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.444 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -53.89 -36.42 62.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.223 -0.923 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.85 -118.76 0.99 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.0 109.539 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.489 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.289 0.566 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.12 144.8 25.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 0.0 109.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -70.79 -19.11 62.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.313 -0.867 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.79 -44.77 93.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.277 -0.89 . . . . 0.0 109.566 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 t -59.28 -36.38 75.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 109.498 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -61.57 -29.31 69.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.311 -0.868 . . . . 0.0 109.485 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.63 -39.43 94.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.933 . . . . 0.0 109.287 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.33 -43.77 98.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.22 -0.925 . . . . 0.0 108.849 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 89.6 m-20 -60.01 -38.8 83.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.57 -49.68 71.3 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.24 -52.29 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -1.207 . . . . 0.0 109.655 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.41 -38.76 85.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.162 -0.961 . . . . 0.0 109.459 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.8 -54.35 32.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.963 -1.085 . . . . 0.0 109.204 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 11' ' ' ILE . 97.0 mt -57.03 -35.15 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.942 . . . . 0.0 109.036 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -59.58 -41.27 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.428 -0.795 . . . . 0.0 109.394 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.5 -38.52 90.79 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.34 -45.11 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.138 -1.213 . . . . 0.0 109.93 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 15' ' ' ILE . 98.6 mt -65.6 -42.77 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.02 . . . . 0.0 109.787 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.44 81.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.021 -1.049 . . . . 0.0 108.83 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -60.05 -39.3 85.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.284 -0.885 . . . . 0.0 109.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.47 64.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.158 -0.964 . . . . 0.0 109.802 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.09 -34.56 75.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.5 -49.58 72.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.087 -1.008 . . . . 0.0 109.765 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.47 -39.58 88.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.016 -1.053 . . . . 0.0 110.048 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -55.15 -40.55 70.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.097 -1.002 . . . . 0.0 109.644 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.12 -30.98 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.62 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.77 -40.62 88.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 0.0 109.629 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.15 -25.36 63.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.637 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -58.56 -36.41 73.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 109.62 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.538 HH11 ' CG ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -56.82 -36.08 69.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.584 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p 56.78 -175.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.27 -0.894 . . . . 0.0 109.567 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.51 159.14 35.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.505 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 35.0 p30 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' B' ' -1' ' ' LYS . 44.7 t0 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 35.6 t -74.27 16.47 0.25 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' B' ' -3' ' ' ASP . 94.0 mttt -75.96 7.79 3.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.61 -46.34 10.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.064 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.09 -31.46 65.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.77 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.1 -26.1 59.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.575 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.07 -37.88 84.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.0 109.424 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' B' ' 5' ' ' LEU . 4.0 mm? -65.59 -42.33 91.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 82.2 m-20 -64.92 -37.18 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.958 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.27 53.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.54 -54.46 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -1.177 . . . . 0.0 109.803 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 mt -57.69 -41.33 81.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.062 -1.024 . . . . 0.0 109.705 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.52 -52.48 61.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.074 -1.016 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.12 -40.25 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.133 -0.979 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -56.95 -42.44 80.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 109.354 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.62 -39.72 98.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.45 -48.46 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.288 -1.125 . . . . 0.0 110.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.22 -39.61 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.827 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -39.37 73.7 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.091 -1.006 . . . . 0.0 109.397 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -66.93 -38.76 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 109.818 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.78 80.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 109.811 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.83 -35.26 77.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.89 -50.64 67.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.062 -1.024 . . . . 0.0 109.356 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.74 -39.72 94.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.16 -42.24 76.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.957 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.1 -36.35 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.22 -0.925 . . . . 0.0 109.19 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -57.58 -37.09 72.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -95.12 129.28 42.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -36.8 72.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 109.37 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -161.48 161.25 30.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.292 -0.88 . . . . 0.0 109.514 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.6 t -77.8 140.3 39.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.216 -0.927 . . . . 0.0 109.27 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' B' ' 30' ' ' ASP . . . -165.73 135.22 3.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 109.412 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 29' ' ' ALA . 52.9 m-20 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.419 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.85 -36.7 81.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.126 -0.984 . . . . 0.0 109.546 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.53 -52.38 53.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.89 -53.07 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -1.177 . . . . 0.0 109.96 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.81 -44.12 86.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 0.0 109.637 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.23 -56.25 20.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.6 -38.28 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.125 -0.984 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.1 t80 -59.97 -41.5 92.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.411 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.87 -40.31 99.1 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.2 -47.77 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 0.0 109.981 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -65.84 -42.52 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.952 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.72 -40.27 88.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.183 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -66.22 -38.05 87.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.16 -0.962 . . . . 0.0 109.626 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.22 -0.925 . . . . 0.0 109.71 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.62 -36.33 80.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.547 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.5 -51.81 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.054 -1.028 . . . . 0.0 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.64 -40.03 94.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.435 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' A' ' 22' ' ' ARG . 21.8 ttm-85 -56.81 -43.69 81.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.461 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 109.6 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -64.44 -46.89 81.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 0.0 109.398 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.12 -36.41 81.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.267 -0.896 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 -50.79 63.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.006 -1.238 . . . . 0.0 110.006 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.82 -52.64 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -1.227 . . . . 0.0 109.995 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.046 -1.034 . . . . 0.0 109.76 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -61.94 -53.28 57.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.0 109.741 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.73 -36.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.42 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.9 -41.15 95.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -38.73 94.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.34 -46.03 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -1.172 . . . . 0.0 110.114 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 99.6 mt -64.04 -37.71 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.087 -1.008 . . . . 0.0 110.024 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.19 -46.63 60.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.116 -0.99 . . . . 0.0 108.912 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -58.55 -39.79 81.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.748 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.31 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.177 -0.952 . . . . 0.0 109.722 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.44 -30.95 71.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 109.55 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.79 -51.53 54.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 0.0 109.736 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt -63.13 -38.11 89.9 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 109.827 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.08 -42.93 81.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.049 -1.032 . . . . 0.0 109.406 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.336 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.77 -37.48 84.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.732 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.85 88.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.51 -52.53 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -1.204 . . . . 0.0 109.975 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.06 -40.84 98.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.144 -0.973 . . . . 0.0 109.787 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.49 -54.43 36.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.65 -36.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.185 -0.947 . . . . 0.0 109.283 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.13 -41.4 98.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.61 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.19 95.34 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.44 -47.34 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -1.148 . . . . 0.0 110.146 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.28 -38.53 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.994 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.27 -39.53 68.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 0.0 109.499 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m -67.07 -40.24 86.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.067 -1.02 . . . . 0.0 109.945 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.86 83.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 0.0 109.897 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.47 -33.05 74.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.0 109.655 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.73 -50.65 64.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -0.975 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.17 -40.68 98.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.95 . . . . 0.0 109.813 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -54.3 -40.25 67.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.069 -1.019 . . . . 0.0 109.439 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.406 179.827 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.36 -45.73 86.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -61.48 -37.0 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.281 -0.887 . . . . 0.0 109.292 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.42 -52.99 49.91 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.64 -50.66 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -1.207 . . . . 0.0 109.35 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.62 -39.28 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.086 -1.009 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.22 -55.49 21.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.46 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -54.38 -38.59 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 109.095 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 85.4 t80 -56.7 -44.32 81.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.354 -0.841 . . . . 0.0 109.148 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.18 -39.63 97.28 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.68 -46.96 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.132 -1.216 . . . . 0.0 109.88 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.65 -37.01 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.159 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.58 -46.28 59.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.063 -1.023 . . . . 0.0 109.215 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -58.14 -38.78 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 0.0 109.796 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.24 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.227 -0.921 . . . . 0.0 110.11 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.67 -33.21 75.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.105 -0.997 . . . . 0.0 109.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -64.37 -49.42 71.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.0 109.575 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.57 -40.48 89.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 0.0 109.833 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.49 -39.5 70.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.97 -1.081 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.436 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 87.2 m-20 -59.17 -39.66 83.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -50.06 66.6 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.8 -46.15 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -1.185 . . . . 0.0 109.751 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.17 -43.11 99.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.082 -1.011 . . . . 0.0 109.607 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -61.7 -53.4 56.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.541 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.98 -37.53 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.244 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.34 -42.17 86.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.365 -0.835 . . . . 0.0 109.431 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.96 -40.74 93.48 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.68 -44.58 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.051 -1.264 . . . . 0.0 109.955 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.94 -42.51 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.066 -1.021 . . . . 0.0 110.004 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.79 -44.71 84.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 108.659 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 m -60.31 -39.92 88.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.78 83.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -66.36 -30.81 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 109.643 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -67.87 -51.36 49.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.056 -1.027 . . . . 0.0 109.875 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.35 -36.46 82.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 110.082 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -57.6 -42.34 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.016 -1.052 . . . . 0.0 109.667 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.471 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 tp . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -63.42 -43.93 96.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 87.8 m-20 -62.21 -40.48 96.23 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 109.664 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.94 -48.85 84.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 82.4 mt -67.6 -47.7 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.24 -1.153 . . . . 0.0 109.931 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.09 -40.61 90.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.06 -1.025 . . . . 0.0 109.821 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.02 -53.74 53.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.171 -0.956 . . . . 0.0 109.778 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.12 -38.34 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.195 -0.941 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.514 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 73.9 t80 -60.48 -40.71 92.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.21 -0.931 . . . . 0.0 109.4 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.69 99.69 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.77 -44.78 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.252 -1.146 . . . . 0.0 110.006 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.78 -38.7 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.931 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.8 -39.28 73.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.072 -1.017 . . . . 0.0 109.095 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -68.64 -39.61 80.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.15 74.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 109.657 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.8 -32.35 72.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.988 . . . . 0.0 109.358 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -66.16 -50.5 63.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.27 -40.56 96.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.904 . . . . 0.0 109.298 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -51.8 -39.36 58.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.301 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.4 mp . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.8 m-20 -63.38 -39.08 93.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.38 -52.56 52.0 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.62 -52.99 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.229 -1.159 . . . . 0.0 109.985 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.9 mt -58.91 -43.09 91.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.801 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.76 -56.53 16.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -53.22 -38.39 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.199 -0.938 . . . . 0.0 109.256 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 80.1 t80 -61.12 -40.27 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 109.571 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.65 -41.33 99.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.72 -47.48 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -1.174 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -38.91 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.978 . . . . 0.0 110.15 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -71.2 -42.77 68.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.949 -1.095 . . . . 0.0 109.364 -179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -64.61 -39.09 93.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.723 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.66 79.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.0 109.754 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.7 -32.84 74.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.548 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.21 -51.29 59.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.17 -0.956 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.05 -39.26 94.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -57.52 -42.58 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.564 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.5 mp -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 108.992 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.5 m-20 -63.08 -37.53 87.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.0 109.51 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -50.49 66.96 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -48.8 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -1.21 . . . . 0.0 109.565 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.2 -41.38 99.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.104 -0.997 . . . . 0.0 109.409 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.32 -56.32 19.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.58 -40.92 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 0.0 108.96 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.88 -42.1 83.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.347 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.48 95.24 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.79 -50.22 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -1.183 . . . . 0.0 110.197 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.75 -42.07 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.16 -44.86 82.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.054 -1.029 . . . . 0.0 108.929 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m -60.68 -40.01 90.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.91 71.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.752 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.44 -33.01 74.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 109.48 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.43 -51.22 59.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.94 -39.68 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.972 . . . . 0.0 109.615 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.527 ' O ' ' NE ' ' B' ' 22' ' ' ARG . 8.7 tpm_? -57.42 -34.06 68.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.104 -0.997 . . . . 0.0 109.602 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.2 mp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 94.6 m-20 -63.32 -39.0 93.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 0.0 109.65 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 -51.7 57.12 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 -50.29 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.199 -1.177 . . . . 0.0 109.62 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.75 -41.52 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.737 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.56 -55.27 25.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.674 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.47 -38.51 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.198 -0.939 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.3 t80 -59.99 -42.52 94.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 0.0 109.2 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.19 -40.3 98.8 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.92 -43.85 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -1.12 . . . . 0.0 109.78 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -72.27 -39.95 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.134 -0.978 . . . . 0.0 110.239 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.79 -39.17 80.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.23 -179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 m -69.31 -40.32 77.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.074 -1.016 . . . . 0.0 109.793 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.09 86.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.056 -1.027 . . . . 0.0 109.711 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.53 -34.37 77.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.157 -0.964 . . . . 0.0 109.44 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -64.64 -52.8 55.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.097 -1.002 . . . . 0.0 109.646 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -41.19 91.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.448 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -54.43 -40.21 68.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.932 . . . . 0.0 109.223 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 121.376 -0.827 . . . . 0.0 109.644 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -61.25 -46.18 91.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.898 . . . . 0.0 109.216 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 92.7 m-20 -59.54 -38.08 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.204 -0.935 . . . . 0.0 109.534 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.39 -51.55 57.24 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.43 -56.85 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.156 -1.202 . . . . 0.0 109.825 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.23 -43.03 74.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.551 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.81 -55.04 37.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -0.95 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.83 -38.11 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -58.24 -42.5 86.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.567 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.22 92.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.06 -45.09 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -1.149 . . . . 0.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.11 -33.14 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.162 -0.961 . . . . 0.0 110.114 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.57 -46.02 41.54 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.164 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.51 -39.35 87.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 110.026 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.97 87.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.813 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.59 -33.5 75.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.138 -0.976 . . . . 0.0 109.855 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.58 -51.74 64.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.947 -1.096 . . . . 0.0 109.767 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.79 -38.38 88.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.012 -1.055 . . . . 0.0 109.698 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -56.62 -44.87 81.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 0.0 109.481 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.376 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.1 m-20 -61.85 -39.16 90.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 0.0 109.687 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -50.96 61.87 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.83 -44.94 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.187 -1.184 . . . . 0.0 109.569 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.24 -40.66 81.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.145 -0.972 . . . . 0.0 109.327 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.8 -55.86 19.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.495 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.87 -39.3 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.173 -0.954 . . . . 0.0 109.106 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.39 -40.88 83.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.685 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.44 -37.7 90.36 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.32 -45.9 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -1.192 . . . . 0.0 110.193 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.28 -40.76 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.012 -1.055 . . . . 0.0 110.003 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -67.01 -45.33 77.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.076 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.1 m -59.84 -40.33 88.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 109.871 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.5 69.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.941 . . . . 0.0 109.649 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.05 -33.3 75.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.175 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -65.11 -50.57 65.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.183 -0.948 . . . . 0.0 109.372 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.9 -46.24 88.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.232 -0.917 . . . . 0.0 109.611 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -52.82 -39.0 62.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.281 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.3 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.533 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.192 0.52 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.493 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.2 mp -62.57 -46.95 86.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.968 . . . . 0.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.1 m-20 -61.11 -36.94 81.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.0 109.685 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.29 66.92 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.93 -48.48 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.241 . . . . 0.0 109.819 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.34 -41.95 98.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.136 -0.978 . . . . 0.0 109.653 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.52 -53.83 51.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 109.646 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.63 -39.38 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.0 109.222 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.39 -41.29 93.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.29 99.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.57 -46.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -1.159 . . . . 0.0 109.824 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.54 -34.98 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.163 -0.961 . . . . 0.0 110.104 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.98 -41.44 59.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 0.0 109.4 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -66.33 -38.4 87.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.71 76.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.207 -0.933 . . . . 0.0 109.781 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.97 -33.66 75.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.141 -0.974 . . . . 0.0 109.516 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.48 -50.23 64.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.61 -42.65 86.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.108 -0.995 . . . . 0.0 110.049 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -54.78 -41.27 70.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 109.627 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.384 179.868 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -61.05 -38.13 85.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 0.0 109.332 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.45 52.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.8 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -1.234 . . . . 0.0 109.937 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -57.97 -43.46 86.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.034 -1.041 . . . . 0.0 109.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.02 -55.52 31.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 109.492 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -55.43 -38.66 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.148 -0.97 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.25 -39.04 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 0.0 109.637 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.72 -40.63 97.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.55 -44.17 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -1.152 . . . . 0.0 110.084 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.06 -36.49 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.149 -0.969 . . . . 0.0 110.455 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.1 -44.48 63.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.153 . . . . 0.0 109.432 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.2 m -67.07 -37.01 83.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 109.876 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.42 86.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.24 -0.912 . . . . 0.0 109.957 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.69 -31.69 72.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -66.54 -50.2 63.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.986 -1.071 . . . . 0.0 109.394 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.26 -39.93 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -56.66 -40.97 76.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.107 -0.996 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.6 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.247 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -55.42 -47.7 75.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.188 -0.945 . . . . 0.0 109.114 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.65 -35.76 80.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.2 -52.84 50.94 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.06 -53.31 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -1.205 . . . . 0.0 109.678 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.32 -43.39 88.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.491 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.18 -54.67 30.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.139 -0.976 . . . . 0.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.46 -39.36 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 109.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.26 -40.93 87.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.358 -0.839 . . . . 0.0 109.535 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.44 81.38 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.9 -46.09 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.237 . . . . 0.0 109.907 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.82 -42.43 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 109.966 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.28 -45.03 86.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.068 -1.02 . . . . 0.0 108.973 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -61.41 -41.06 96.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 0.0 110.075 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.26 -51.63 68.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.48 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.5 -31.92 73.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -64.21 -50.55 67.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.016 -1.053 . . . . 0.0 109.461 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.24 -37.29 86.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 109.562 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.45 -38.53 69.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.108 -0.995 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.366 179.714 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -63.34 -38.61 91.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.916 . . . . 0.0 109.719 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.34 -49.67 74.02 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.53 -55.55 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.236 -1.155 . . . . 0.0 109.809 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 mt -59.24 -40.97 87.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.932 . . . . 0.0 109.608 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -58.22 7.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.862 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -36.72 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.51 -41.61 94.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.85 . . . . 0.0 109.653 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -41.0 92.38 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.07 -47.86 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -1.16 . . . . 0.0 110.122 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.34 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.963 . . . . 0.0 110.022 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.41 -46.68 79.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.368 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -59.88 -40.71 89.64 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 110.105 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.36 77.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.104 -0.997 . . . . 0.0 109.674 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.02 -33.21 75.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.29 -53.03 59.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 0.0 109.61 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.91 -37.65 88.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.692 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.65 -41.42 70.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 0.0 109.473 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.436 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -61.11 -47.14 87.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.205 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.32 -34.99 77.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.66 44.37 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.23 -51.25 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.166 -1.196 . . . . 0.0 109.918 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.68 -42.71 97.68 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.635 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.26 -53.55 47.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.941 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -55.59 -42.85 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.96 . . . . 0.0 109.529 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -58.94 -38.31 78.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.313 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.83 -43.14 98.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -67.11 -47.47 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.277 -1.131 . . . . 0.0 110.472 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.82 -40.39 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -68.34 -39.63 81.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.352 -179.577 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.089 -1.007 . . . . 0.0 109.931 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -48.93 79.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.76 -35.24 75.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 109.709 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.05 -50.57 67.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.98 -42.4 99.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.196 -0.94 . . . . 0.0 109.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -55.11 -39.15 69.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.462 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.438 179.685 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.5 mp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.88 83.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.127 -0.983 . . . . 0.0 109.231 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.43 67.08 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.25 -49.09 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 0.0 109.998 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.999 -1.063 . . . . 0.0 109.377 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.84 -53.82 44.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -54.52 -40.83 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 108.92 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.3 t80 -56.82 -42.67 79.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 0.0 109.275 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.69 95.98 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.95 -45.6 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -1.164 . . . . 0.0 110.198 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.79 -30.96 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 0.0 110.029 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -77.16 -46.33 23.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.001 -1.062 . . . . 0.0 108.896 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.589 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.84 80.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.193 -0.942 . . . . 0.0 109.604 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.19 -29.59 68.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.235 -0.916 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.58 -53.05 53.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.113 -0.992 . . . . 0.0 109.613 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.77 -41.09 96.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -53.15 -43.05 66.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.144 -0.972 . . . . 0.0 109.63 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.109 -0.994 . . . . 0.0 109.581 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -62.15 -46.94 86.75 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.186 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.8 -36.38 74.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.196 -0.94 . . . . 0.0 109.285 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.76 59.79 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.43 -51.02 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.11 -1.229 . . . . 0.0 110.244 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.04 -42.35 99.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.128 -0.983 . . . . 0.0 109.632 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.81 -55.94 19.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.939 . . . . 0.0 109.579 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.97 -37.71 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.945 . . . . 0.0 109.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.76 -42.0 92.28 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.27 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.76 -40.76 99.62 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.73 -45.13 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.149 . . . . 0.0 110.031 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.15 -35.72 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.958 . . . . 0.0 109.988 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -77.29 -42.52 36.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -66.69 -37.72 85.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.11 -0.994 . . . . 0.0 109.525 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.07 83.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 109.799 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 23' ' ' VAL . 66.5 mt -64.59 -29.48 70.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -69.83 -51.08 36.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.005 -1.059 . . . . 0.0 110.117 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.69 -41.03 98.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.019 -1.051 . . . . 0.0 109.662 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -56.37 -38.88 72.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 109.121 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.61 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.3 mp . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.42 -38.57 91.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 0.0 109.673 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.38 -49.97 72.78 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.03 -52.56 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -1.206 . . . . 0.0 109.93 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.88 -42.44 97.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.099 -1.001 . . . . 0.0 109.57 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.09 -56.38 17.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 0.0 109.708 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.23 -38.91 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.196 -0.94 . . . . 0.0 109.208 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -58.13 -41.86 84.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.65 96.78 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.56 -45.27 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.305 -1.115 . . . . 0.0 110.099 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -68.86 -42.28 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.144 -0.972 . . . . 0.0 110.013 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.36 -37.83 86.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.276 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.9 m -68.57 -40.16 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.123 -0.986 . . . . 0.0 109.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 109.754 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.0 -34.97 79.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 109.761 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.8 -48.94 74.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.022 -1.049 . . . . 0.0 109.79 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.89 -36.6 83.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -58.07 -44.33 87.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.083 -1.011 . . . . 0.0 109.999 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.048 -1.032 . . . . 0.0 109.645 -179.778 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.73 -46.63 81.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.08 -39.15 93.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 109.986 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.62 64.56 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.68 -53.21 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.104 -1.233 . . . . 0.0 109.923 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.46 -43.29 93.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.051 . . . . 0.0 109.521 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.55 -53.14 60.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.224 -0.923 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.6 -38.06 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 109.258 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 70.7 t80 -58.03 -42.93 86.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 109.506 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.9 95.44 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.93 -47.07 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -1.211 . . . . 0.0 110.058 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.15 -43.58 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.129 -0.982 . . . . 0.0 109.83 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.04 -43.7 94.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.047 -1.033 . . . . 0.0 108.666 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -60.2 -39.21 85.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 109.788 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.56 75.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.947 . . . . 0.0 109.839 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.49 -31.58 72.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.32 -50.99 63.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.833 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.07 -36.42 84.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.103 -0.998 . . . . 0.0 109.942 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -53.39 -40.51 65.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.09 -1.006 . . . . 0.0 109.343 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.631 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -59.22 -36.91 76.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.093 -1.004 . . . . 0.0 109.715 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.87 62.72 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.33 -52.9 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.253 . . . . 0.0 110.073 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.15 -42.24 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 109.746 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.77 -55.54 22.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.026 -1.046 . . . . 0.0 109.464 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.4 -40.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.069 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -55.6 -43.43 76.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.414 -0.804 . . . . 0.0 109.602 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.16 -37.41 91.38 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.29 -46.89 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.065 -1.256 . . . . 0.0 110.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.01 -36.61 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -0.988 . . . . 0.0 109.894 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -71.96 -43.97 64.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 108.982 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 m -60.81 -38.55 85.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.0 109.656 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.47 64.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.112 -0.992 . . . . 0.0 109.785 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.1 -32.52 73.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -0.926 . . . . 0.0 109.468 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -65.49 -51.1 62.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.107 -0.995 . . . . 0.0 109.731 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.68 -41.07 98.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.903 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -55.21 -39.19 69.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.036 -1.04 . . . . 0.0 109.416 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.92 . . . . 0.0 109.462 179.837 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -62.7 -45.0 94.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 0.0 109.2 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.42 -36.84 81.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.611 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.31 -51.16 58.49 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.2 -46.64 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.14 -1.212 . . . . 0.0 109.845 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.66 -41.77 95.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -0.993 . . . . 0.0 109.563 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -63.27 -54.08 42.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 0.0 109.466 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.15 -36.58 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 109.072 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 66.8 t80 -60.81 -42.44 97.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.405 -0.809 . . . . 0.0 109.37 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.91 96.52 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.75 -46.3 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -1.181 . . . . 0.0 109.935 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.53 -36.31 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.062 -1.024 . . . . 0.0 110.007 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.41 -42.58 58.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 109.389 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -67.17 -38.31 85.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -0.961 . . . . 0.0 109.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.43 85.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.727 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.92 -32.84 74.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -64.82 -51.07 64.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.061 -1.025 . . . . 0.0 109.676 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.707 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -54.93 -41.17 70.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 80.2 m-20 -61.46 -40.78 95.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.145 -0.972 . . . . 0.0 109.52 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -49.71 69.56 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.25 -47.15 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -1.174 . . . . 0.0 110.015 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.32 -41.67 96.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.714 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -62.87 -54.91 31.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.0 109.788 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.61 -40.94 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -58.66 -41.3 85.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.727 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.77 96.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.33 -44.95 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 110.066 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.66 -35.09 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -74.94 -40.3 60.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.04 . . . . 0.0 109.235 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.2 m -67.18 -39.02 86.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.161 -0.962 . . . . 0.0 109.667 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -49.66 76.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.792 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.83 -32.75 74.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.767 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.67 -50.78 61.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.51 -42.95 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -54.86 -40.59 69.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 179.753 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.07 -42.6 99.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.336 -0.853 . . . . 0.0 108.982 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 94.2 m-20 -63.9 -38.12 89.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 0.0 109.512 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.49 -51.14 60.55 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.96 -54.53 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -1.147 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.82 -41.67 78.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.436 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.84 -57.62 10.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.81 -41.61 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.201 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 87.5 t80 -56.07 -43.83 78.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.213 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.11 -40.69 95.14 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.31 -46.56 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -1.181 . . . . 0.0 109.779 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.64 -36.33 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.94 . . . . 0.0 109.951 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.43 -45.5 65.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.996 -1.065 . . . . 0.0 109.025 -179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.2 m -61.92 -38.62 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.644 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.74 80.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 109.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 32.9 mt -66.85 -33.99 76.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.459 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -63.38 -52.42 61.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.079 -1.013 . . . . 0.0 109.591 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.59 -36.57 84.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.105 -0.997 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -58.74 -40.39 83.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.205 -0.935 . . . . 0.0 109.435 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 95.1 m-20 -62.15 -37.8 86.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.68 43.88 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.87 -53.96 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.1 -1.236 . . . . 0.0 109.642 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.68 -43.17 94.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.491 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.98 -54.06 44.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.951 . . . . 0.0 109.714 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.74 -39.48 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.058 -1.026 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.22 -42.4 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.671 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.58 90.23 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.17 -47.85 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -1.176 . . . . 0.0 110.019 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.04 -43.87 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.063 -1.023 . . . . 0.0 109.952 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -63.15 -43.57 97.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -0.979 . . . . 0.0 108.972 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -60.39 -40.63 91.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 110.003 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.46 73.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.092 -1.005 . . . . 0.0 109.831 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.49 -32.82 74.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 109.697 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.79 -53.19 59.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.04 -1.038 . . . . 0.0 109.63 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.25 -38.7 92.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.139 -0.976 . . . . 0.0 109.539 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.06 -42.21 65.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.549 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.489 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.3 mp -66.08 -45.41 81.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.064 -1.023 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 90.7 m-20 -60.89 -38.7 86.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.13 -52.34 53.89 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.34 -51.06 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 0.0 109.721 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.45 -43.12 99.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.122 -0.986 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.25 -56.4 18.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.191 -0.943 . . . . 0.0 109.426 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.67 -40.08 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 108.959 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 79.8 t80 -57.43 -40.34 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.95 -41.65 99.67 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -68.3 -43.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.233 -1.157 . . . . 0.0 110.163 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -70.12 -38.39 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -71.9 -41.75 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 108.975 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.8 m -66.91 -38.31 85.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 109.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 110.0 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.09 -35.3 76.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.155 -0.966 . . . . 0.0 109.553 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.8 -51.48 61.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.93 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.99 -35.67 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.108 -0.995 . . . . 0.0 110.129 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -56.65 -43.51 80.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.04 -1.037 . . . . 0.0 109.776 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.0 109.822 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -63.42 -37.46 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.458 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.16 -51.68 57.36 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.99 -52.45 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -1.228 . . . . 0.0 109.506 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.01 -42.14 98.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.21 -54.49 36.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 0.0 109.68 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -56.17 -39.97 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.173 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.588 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.4 t80 -57.15 -40.21 76.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.384 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.52 98.97 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.59 -43.55 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.15 -1.206 . . . . 0.0 109.847 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.23 -41.82 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.925 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.64 -40.92 80.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.138 -0.977 . . . . 0.0 109.36 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 m -70.19 -36.75 74.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.025 -1.047 . . . . 0.0 109.756 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.22 82.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.11 -32.78 74.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.464 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.57 -51.4 65.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.968 . . . . 0.0 109.735 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.06 -37.81 88.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.721 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -57.97 -39.55 78.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 0.0 109.619 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.915 . . . . 0.0 109.551 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.84 -47.98 81.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.252 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.34 -38.75 84.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.06 -49.28 80.15 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.9 -55.05 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -1.199 . . . . 0.0 109.953 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.06 -41.82 88.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.148 -0.97 . . . . 0.0 109.572 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.51 -55.17 30.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.169 -0.957 . . . . 0.0 109.596 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.58 -41.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 109.156 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -55.11 -43.57 74.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.231 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.93 93.35 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.49 -46.92 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -1.188 . . . . 0.0 109.847 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.71 -38.33 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.131 -0.981 . . . . 0.0 110.009 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.12 -43.3 78.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.993 -1.067 . . . . 0.0 108.863 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 -38.86 90.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.01 . . . . 0.0 109.427 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.21 66.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.435 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.01 -33.33 75.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -50.94 70.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.062 -1.024 . . . . 0.0 109.44 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.4 -38.74 90.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -55.54 -40.26 71.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 109.114 179.518 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 89.6 m-20 -60.01 -38.8 83.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.57 -49.68 71.3 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.24 -52.29 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -1.207 . . . . 0.0 109.655 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.41 -38.76 85.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.162 -0.961 . . . . 0.0 109.459 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.8 -54.35 32.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.963 -1.085 . . . . 0.0 109.204 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.03 -35.15 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.942 . . . . 0.0 109.036 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -59.58 -41.27 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.428 -0.795 . . . . 0.0 109.394 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.5 -38.52 90.79 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.34 -45.11 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.138 -1.213 . . . . 0.0 109.93 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.6 mt -65.6 -42.77 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.02 . . . . 0.0 109.787 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.93 -45.44 81.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.021 -1.049 . . . . 0.0 108.83 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -60.05 -39.3 85.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.284 -0.885 . . . . 0.0 109.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.47 64.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.158 -0.964 . . . . 0.0 109.802 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.09 -34.56 75.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.5 -49.58 72.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.087 -1.008 . . . . 0.0 109.765 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.47 -39.58 88.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.016 -1.053 . . . . 0.0 110.048 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -55.15 -40.55 70.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.097 -1.002 . . . . 0.0 109.644 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.62 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 5' ' ' LEU . 4.0 mm? -65.59 -42.33 91.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 82.2 m-20 -64.92 -37.18 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.958 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.27 53.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.54 -54.46 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -1.177 . . . . 0.0 109.803 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 mt -57.69 -41.33 81.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.062 -1.024 . . . . 0.0 109.705 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.52 -52.48 61.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.074 -1.016 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.12 -40.25 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.133 -0.979 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -56.95 -42.44 80.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 109.354 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.62 -39.72 98.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.45 -48.46 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.288 -1.125 . . . . 0.0 110.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.22 -39.61 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.827 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.64 -39.37 73.7 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.091 -1.006 . . . . 0.0 109.397 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -66.93 -38.76 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 109.818 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.78 80.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 109.811 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.83 -35.26 77.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.89 -50.64 67.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.062 -1.024 . . . . 0.0 109.356 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.74 -39.72 94.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.16 -42.24 76.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.957 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.22 -0.925 . . . . 0.0 109.19 179.61 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 44.7 p30 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.305 0.574 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.2 m -56.23 154.58 7.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -84.65 13.65 5.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.37 -39.07 78.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.284 -0.885 . . . . 0.0 109.469 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.43 -36.56 69.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 109.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -59.71 -26.78 65.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.3 tp -76.17 -41.34 50.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 0.0 109.57 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.3 mm? -62.03 -48.24 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 109.308 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.85 -36.7 81.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.126 -0.984 . . . . 0.0 109.546 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.53 -52.38 53.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.89 -53.07 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -1.177 . . . . 0.0 109.96 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.81 -44.12 86.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 0.0 109.637 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.23 -56.25 20.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.6 -38.28 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.125 -0.984 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.1 t80 -59.97 -41.5 92.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.411 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.87 -40.31 99.1 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.2 -47.77 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 0.0 109.981 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -65.84 -42.52 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.952 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.72 -40.27 88.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.183 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -66.22 -38.05 87.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.16 -0.962 . . . . 0.0 109.626 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.22 -0.925 . . . . 0.0 109.71 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.62 -36.33 80.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.547 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.5 -51.81 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.054 -1.028 . . . . 0.0 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.64 -40.03 94.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.435 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' A' ' 22' ' ' ARG . 21.8 ttm-85 -56.81 -43.69 81.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.461 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -74.04 -33.07 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 109.6 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.12 -40.59 67.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.546 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.47 125.24 43.59 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.291 -0.881 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -64.21 -35.16 79.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 109.394 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.15 -34.95 66.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.34 -0.85 . . . . 0.0 109.439 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 t 51.26 23.28 1.61 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.54 71.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.444 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.457 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 58.6 p -148.49 157.37 43.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.314 -0.866 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 50.33 27.28 2.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.63 -41.1 85.19 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 0.0 109.152 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 41.3 t -61.5 -32.15 72.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 0.0 109.434 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -58.64 -30.16 67.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.237 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.87 -43.24 68.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -64.44 -46.89 81.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 0.0 109.398 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.12 -36.41 81.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.267 -0.896 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 -50.79 63.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.006 -1.238 . . . . 0.0 110.006 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.82 -52.64 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -1.227 . . . . 0.0 109.995 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.046 -1.034 . . . . 0.0 109.76 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -61.94 -53.28 57.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.0 109.741 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.73 -36.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.42 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.9 -41.15 95.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -38.73 94.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.34 -46.03 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -1.172 . . . . 0.0 110.114 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 99.6 mt -64.04 -37.71 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.087 -1.008 . . . . 0.0 110.024 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.19 -46.63 60.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.116 -0.99 . . . . 0.0 108.912 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -58.55 -39.79 81.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.748 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.31 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.177 -0.952 . . . . 0.0 109.722 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.44 -30.95 71.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 109.55 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.79 -51.53 54.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 0.0 109.736 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt -63.13 -38.11 89.9 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 109.827 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.08 -42.93 81.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.049 -1.032 . . . . 0.0 109.406 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.81 -35.67 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.88 -43.49 98.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.203 -0.935 . . . . 0.0 109.34 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -94.51 128.07 40.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.208 -0.933 . . . . 0.0 109.025 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 38.5 p -67.87 159.27 30.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -63.86 142.41 58.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.319 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -59.65 165.78 2.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.607 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.59 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . -62.36 148.83 44.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.506 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.59 ' OXT' ' O ' ' B' ' 29' ' ' ALA . 68.0 m-20 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.727 ' HB2' ' OD1' ' B' ' -3' ' ' ASP . 84.7 m-20 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 55.1 m 50.99 90.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.178 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.19 9.8 2.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.313 -0.867 . . . . 0.0 109.434 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.57 -36.46 78.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.0 t -56.47 -33.62 66.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.235 -0.915 . . . . 0.0 109.431 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.2 -25.69 67.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.226 -0.921 . . . . 0.0 109.439 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp -74.38 -42.36 59.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.672 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp -61.03 -46.55 90.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.054 -1.029 . . . . 0.0 109.422 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.77 -37.48 84.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.732 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.85 88.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.51 -52.53 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -1.204 . . . . 0.0 109.975 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.06 -40.84 98.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.144 -0.973 . . . . 0.0 109.787 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.49 -54.43 36.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.65 -36.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.185 -0.947 . . . . 0.0 109.283 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.13 -41.4 98.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.61 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.19 95.34 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.44 -47.34 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -1.148 . . . . 0.0 110.146 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.28 -38.53 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.994 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.27 -39.53 68.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 0.0 109.499 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m -67.07 -40.24 86.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.067 -1.02 . . . . 0.0 109.945 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.86 83.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 0.0 109.897 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.47 -33.05 74.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.0 109.655 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.73 -50.65 64.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -0.975 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.17 -40.68 98.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.95 . . . . 0.0 109.813 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -54.3 -40.25 67.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.069 -1.019 . . . . 0.0 109.439 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.59 -32.28 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.406 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.75 -31.68 62.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.752 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.6 151.69 21.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.304 -0.872 . . . . 0.0 109.546 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.1 p -158.0 165.72 34.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.584 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -78.32 149.32 33.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -61.01 -31.15 70.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.243 -0.911 . . . . 0.0 109.43 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.53 146.01 26.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 109.51 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.501 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -3' ' ' ASP . . . . . 0.727 ' OD1' ' HB2' ' A' ' -3' ' ' ASP . 12.0 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 87.9 p -153.12 165.63 35.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.338 -0.851 . . . . 0.0 109.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -85.94 9.33 17.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.165 -0.959 . . . . 0.0 109.928 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.12 -36.49 84.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.981 -1.075 . . . . 0.0 108.993 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 9.9 t -55.21 -28.03 50.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.492 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.61 -25.73 66.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.49 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.8 -41.96 77.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.36 -45.73 86.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -61.48 -37.0 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.281 -0.887 . . . . 0.0 109.292 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.42 -52.99 49.91 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.64 -50.66 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -1.207 . . . . 0.0 109.35 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.62 -39.28 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.086 -1.009 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.22 -55.49 21.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.46 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -54.38 -38.59 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 109.095 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 85.4 t80 -56.7 -44.32 81.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.354 -0.841 . . . . 0.0 109.148 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.18 -39.63 97.28 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.68 -46.96 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.132 -1.216 . . . . 0.0 109.88 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.65 -37.01 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.159 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.58 -46.28 59.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.063 -1.023 . . . . 0.0 109.215 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -58.14 -38.78 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 0.0 109.796 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.24 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.227 -0.921 . . . . 0.0 110.11 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.67 -33.21 75.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.105 -0.997 . . . . 0.0 109.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -64.37 -49.42 71.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.0 109.575 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.57 -40.48 89.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 0.0 109.833 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.49 -39.5 70.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.97 -1.081 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.24 -31.62 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.436 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -56.06 -44.92 79.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.548 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -77.39 -27.48 52.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.652 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' B' ' 26' ' ' SER . 24.1 p 54.34 97.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 109.423 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -59.86 -33.99 72.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.211 -0.931 . . . . 0.0 109.538 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.0 m -59.77 -41.17 90.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.255 -0.903 . . . . 0.0 109.886 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.19 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 0.0 109.566 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.9 t0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.469 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 90.1 p -161.02 153.36 20.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -91.97 18.38 7.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.452 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.86 -39.43 83.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t -56.56 -45.02 81.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 109.57 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.76 -24.69 65.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.68 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.38 -40.98 98.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 109.483 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -64.62 -45.03 88.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 109.037 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 87.2 m-20 -59.17 -39.66 83.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -50.06 66.6 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.8 -46.15 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -1.185 . . . . 0.0 109.751 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.17 -43.11 99.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.082 -1.011 . . . . 0.0 109.607 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -61.7 -53.4 56.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.541 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.98 -37.53 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.244 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.34 -42.17 86.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.365 -0.835 . . . . 0.0 109.431 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.96 -40.74 93.48 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.68 -44.58 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.051 -1.264 . . . . 0.0 109.955 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.94 -42.51 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.066 -1.021 . . . . 0.0 110.004 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.79 -44.71 84.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 108.659 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 m -60.31 -39.92 88.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.78 83.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -66.36 -30.81 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 109.643 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -67.87 -51.36 49.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.056 -1.027 . . . . 0.0 109.875 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.35 -36.46 82.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 110.082 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -57.6 -42.34 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.016 -1.052 . . . . 0.0 109.667 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.17 -33.0 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.471 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.31 -33.83 54.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 109.579 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 1.272 ' HD1' ' OXT' ' A' ' 30' ' ' ASP . 88.6 m-85 -89.48 7.17 37.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.13 -0.981 . . . . 0.0 109.765 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 t -58.51 -32.56 68.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.93 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -57.6 -41.39 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 109.858 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.97 ' OG ' ' OD1' ' A' ' 30' ' ' ASP . 60.1 p -164.04 -179.16 6.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.505 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.15 75.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.947 . . . . 0.0 109.67 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.272 ' OXT' ' HD1' ' A' ' 25' ' ' PHE . 41.0 p-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.607 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 22.0 m -70.56 -27.74 64.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.551 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -81.0 16.34 1.52 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.312 -0.868 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.1 tp -52.99 -38.38 62.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 t -59.91 -43.73 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.703 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -58.77 -27.12 64.69 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.342 -0.849 . . . . 0.0 109.657 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 tp -62.03 -37.24 84.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.953 . . . . 0.0 109.519 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -63.42 -43.93 96.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 87.8 m-20 -62.21 -40.48 96.23 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 109.664 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.94 -48.85 84.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 82.4 mt -67.6 -47.7 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.24 -1.153 . . . . 0.0 109.931 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.09 -40.61 90.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.06 -1.025 . . . . 0.0 109.821 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.02 -53.74 53.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.171 -0.956 . . . . 0.0 109.778 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.12 -38.34 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.195 -0.941 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.514 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 73.9 t80 -60.48 -40.71 92.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.21 -0.931 . . . . 0.0 109.4 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.69 99.69 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.77 -44.78 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.252 -1.146 . . . . 0.0 110.006 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.78 -38.7 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.931 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.8 -39.28 73.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.072 -1.017 . . . . 0.0 109.095 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -68.64 -39.61 80.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.15 74.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 109.657 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.8 -32.35 72.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.988 . . . . 0.0 109.358 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -66.16 -50.5 63.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.27 -40.56 96.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.904 . . . . 0.0 109.298 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -51.8 -39.36 58.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.6 t -73.51 -29.76 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -57.29 -39.54 75.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 109.485 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -92.92 125.71 37.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 72.2 p -73.76 -22.68 59.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.208 -0.932 . . . . 0.0 109.442 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 51.85 -99.64 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.365 -0.834 . . . . 0.0 109.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -63.89 166.26 7.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.258 -0.901 . . . . 0.0 109.804 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.83 154.07 34.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.374 -0.829 . . . . 0.0 109.262 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 47.2 t0 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.468 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.5 m 49.89 29.29 3.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 52.45 51.25 16.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 109.595 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.2 -40.55 90.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 t -56.56 -38.93 72.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.64 -22.98 9.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 109.575 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.42 -39.17 91.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.533 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.4 mp -64.74 -43.64 92.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.13 -0.981 . . . . 0.0 109.236 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.8 m-20 -63.38 -39.08 93.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.38 -52.56 52.0 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.62 -52.99 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.229 -1.159 . . . . 0.0 109.985 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.9 mt -58.91 -43.09 91.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.801 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.76 -56.53 16.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -53.22 -38.39 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.199 -0.938 . . . . 0.0 109.256 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 80.1 t80 -61.12 -40.27 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 109.571 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.65 -41.33 99.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.72 -47.48 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -1.174 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -38.91 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.978 . . . . 0.0 110.15 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -71.2 -42.77 68.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.949 -1.095 . . . . 0.0 109.364 -179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -64.61 -39.09 93.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.723 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.66 79.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.0 109.754 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.7 -32.84 74.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.548 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.21 -51.29 59.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.17 -0.956 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.05 -39.26 94.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -57.52 -42.58 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.564 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.06 -36.42 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -57.49 -42.31 82.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.372 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -84.82 -86.87 0.12 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.349 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -152.0 150.35 29.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.333 -0.854 . . . . 0.0 109.257 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -60.7 -36.79 79.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.411 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -92.6 147.64 22.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.844 . . . . 0.0 109.582 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' O ' ' OXT' ' A' ' 30' ' ' ASP . . . -159.32 152.48 22.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 0.0 109.402 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OXT' ' O ' ' A' ' 29' ' ' ALA . 14.5 p30 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.52 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 54.4 m -73.59 167.25 21.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.679 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 53.64 31.93 13.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.364 -0.835 . . . . 0.0 109.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.08 -40.33 94.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.323 -0.861 . . . . 0.0 109.147 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.94 -34.38 73.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.253 -0.904 . . . . 0.0 109.332 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.72 -25.03 66.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.74 -39.68 91.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 109.187 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.5 mp -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 108.992 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.5 m-20 -63.08 -37.53 87.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.0 109.51 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -50.49 66.96 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -48.8 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -1.21 . . . . 0.0 109.565 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.2 -41.38 99.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.104 -0.997 . . . . 0.0 109.409 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.32 -56.32 19.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.58 -40.92 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 0.0 108.96 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.88 -42.1 83.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.347 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.48 95.24 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.79 -50.22 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -1.183 . . . . 0.0 110.197 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.75 -42.07 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.16 -44.86 82.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.054 -1.029 . . . . 0.0 108.929 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m -60.68 -40.01 90.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.91 71.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.752 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.44 -33.01 74.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 109.48 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.43 -51.22 59.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.94 -39.68 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.972 . . . . 0.0 109.615 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.527 ' O ' ' NE ' ' B' ' 22' ' ' ARG . 8.7 tpm_? -57.42 -34.06 68.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -86.27 -30.25 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.104 -0.997 . . . . 0.0 109.602 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -53.01 -38.0 61.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.04 131.04 45.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.937 . . . . 0.0 109.263 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -148.16 160.42 42.94 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.271 -0.893 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -157.08 166.94 31.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.174 -0.954 . . . . 0.0 109.565 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -52.09 -32.4 34.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.471 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.42 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . 51.36 -98.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.291 -0.881 . . . . 0.0 109.48 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 58.1 p30 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.468 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' -1' ' ' LYS . 97.6 m-20 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.1 m 48.34 19.13 0.2 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 109.514 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' -3' ' ' ASP . 67.3 mttm 52.03 45.72 27.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.885 . . . . 0.0 109.466 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.89 -40.19 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.45 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.16 -38.8 18.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.127 -0.983 . . . . 0.0 109.436 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.36 -28.23 68.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.265 -0.897 . . . . 0.0 109.594 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.3 tp -65.78 -39.5 91.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.2 mp -58.94 -41.59 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.167 -0.958 . . . . 0.0 108.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 94.6 m-20 -63.32 -39.0 93.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 0.0 109.65 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 -51.7 57.12 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 -50.29 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.199 -1.177 . . . . 0.0 109.62 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.75 -41.52 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.737 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.56 -55.27 25.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.674 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.47 -38.51 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.198 -0.939 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.3 t80 -59.99 -42.52 94.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 0.0 109.2 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.19 -40.3 98.8 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.92 -43.85 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -1.12 . . . . 0.0 109.78 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -72.27 -39.95 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.134 -0.978 . . . . 0.0 110.239 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.79 -39.17 80.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.23 -179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 m -69.31 -40.32 77.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.074 -1.016 . . . . 0.0 109.793 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.09 86.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.056 -1.027 . . . . 0.0 109.711 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.53 -34.37 77.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.157 -0.964 . . . . 0.0 109.44 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -64.64 -52.8 55.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.097 -1.002 . . . . 0.0 109.646 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -41.19 91.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.448 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -54.43 -40.21 68.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.932 . . . . 0.0 109.223 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.69 -37.8 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.376 -0.827 . . . . 0.0 109.644 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -55.77 -39.91 71.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.181 -0.95 . . . . 0.0 109.13 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -163.75 166.83 21.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.677 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -157.05 -21.73 0.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.0 109.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -54.33 -41.87 69.52 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.28 -0.887 . . . . 0.0 109.049 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -64.79 -34.96 79.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.23 142.88 9.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.454 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.256 -179.75 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -3' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' -2' ' ' SER . 38.8 p30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -2' ' ' SER . . . . . 0.513 ' N ' ' OD1' ' B' ' -3' ' ' ASP . 12.3 m -56.54 -34.61 67.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.963 . . . . 0.0 109.483 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.11 25.16 2.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.757 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 tp -55.94 -41.09 74.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.202 -0.937 . . . . 0.0 109.06 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 43.3 t -57.69 -34.07 69.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.229 -0.919 . . . . 0.0 109.278 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.73 -23.94 60.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.358 -0.839 . . . . 0.0 109.37 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.85 -40.27 91.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 0.0 109.288 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -61.25 -46.18 91.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.898 . . . . 0.0 109.216 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 92.7 m-20 -59.54 -38.08 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.204 -0.935 . . . . 0.0 109.534 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.39 -51.55 57.24 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.43 -56.85 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.156 -1.202 . . . . 0.0 109.825 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.23 -43.03 74.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.551 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.81 -55.04 37.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -0.95 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.83 -38.11 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -58.24 -42.5 86.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.567 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.22 92.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.06 -45.09 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -1.149 . . . . 0.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.11 -33.14 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.162 -0.961 . . . . 0.0 110.114 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.57 -46.02 41.54 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.164 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.51 -39.35 87.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 110.026 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.97 87.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.813 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.59 -33.5 75.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.138 -0.976 . . . . 0.0 109.855 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.58 -51.74 64.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.947 -1.096 . . . . 0.0 109.767 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.79 -38.38 88.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.012 -1.055 . . . . 0.0 109.698 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -56.62 -44.87 81.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 0.0 109.481 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.76 -31.94 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.376 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.42 -44.96 85.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 0.0 109.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -157.07 161.0 39.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.135 -0.978 . . . . 0.0 109.81 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 86.6 p -156.8 161.97 39.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.341 -0.849 . . . . 0.0 109.353 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.62 -31.49 72.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.956 . . . . 0.0 109.705 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.9 m -53.32 143.29 19.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.503 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.28 155.45 30.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.507 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 p30 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.534 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.328 0.585 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.0 m 53.11 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.242 -0.911 . . . . 0.0 109.468 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.84 14.82 5.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 0.0 109.589 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.16 -35.92 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.377 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -56.38 -35.37 67.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.205 -0.934 . . . . 0.0 109.612 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -60.5 -31.42 70.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.35 -37.0 85.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.174 -0.954 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 109.534 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.1 m-20 -61.85 -39.16 90.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 0.0 109.687 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -50.96 61.87 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.83 -44.94 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.187 -1.184 . . . . 0.0 109.569 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.24 -40.66 81.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.145 -0.972 . . . . 0.0 109.327 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.8 -55.86 19.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.495 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.87 -39.3 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.173 -0.954 . . . . 0.0 109.106 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.39 -40.88 83.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.685 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.44 -37.7 90.36 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.32 -45.9 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -1.192 . . . . 0.0 110.193 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.28 -40.76 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.012 -1.055 . . . . 0.0 110.003 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -67.01 -45.33 77.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.076 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.1 m -59.84 -40.33 88.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 109.871 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.5 69.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.941 . . . . 0.0 109.649 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.05 -33.3 75.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.175 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -65.11 -50.57 65.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.183 -0.948 . . . . 0.0 109.372 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.9 -46.24 88.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.232 -0.917 . . . . 0.0 109.611 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -52.82 -39.0 62.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.281 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.87 -35.94 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.533 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -54.78 -50.81 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.366 -0.834 . . . . 0.0 109.457 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -86.24 122.91 30.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 0.0 109.656 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -71.48 -19.53 62.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.373 -0.829 . . . . 0.0 109.71 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -50.72 -34.14 25.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.134 -0.979 . . . . 0.0 109.251 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 m -71.86 138.92 48.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.22 -0.925 . . . . 0.0 109.256 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.64 122.2 29.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.545 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 50.1 p-10 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.42 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 42.5 p30 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.222 0.534 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 64.2 m -70.27 159.58 33.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.115 -0.99 . . . . 0.0 109.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -79.82 9.33 5.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.38 -32.95 71.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.6 -36.61 64.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 0.0 109.543 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -56.36 -27.37 55.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.9 . . . . 0.0 109.552 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.0 -37.3 87.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.608 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.493 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.2 mp -62.57 -46.95 86.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.968 . . . . 0.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.1 m-20 -61.11 -36.94 81.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.0 109.685 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.29 66.92 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.93 -48.48 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.241 . . . . 0.0 109.819 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.34 -41.95 98.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.136 -0.978 . . . . 0.0 109.653 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.52 -53.83 51.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 109.646 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.63 -39.38 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.0 109.222 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.39 -41.29 93.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.29 99.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.57 -46.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -1.159 . . . . 0.0 109.824 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.54 -34.98 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.163 -0.961 . . . . 0.0 110.104 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.98 -41.44 59.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 0.0 109.4 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -66.33 -38.4 87.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.71 76.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.207 -0.933 . . . . 0.0 109.781 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.97 -33.66 75.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.141 -0.974 . . . . 0.0 109.516 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.48 -50.23 64.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.61 -42.65 86.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.108 -0.995 . . . . 0.0 110.049 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.815 ' HG3' ' HB2' ' B' ' 28' ' ' SER . 65.0 ttt180 -54.78 -41.27 70.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 109.627 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.6 -35.05 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.384 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.21 -41.12 92.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.133 -0.98 . . . . 0.0 109.338 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -95.73 124.15 39.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.35 -0.844 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -73.19 -16.75 61.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.519 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -58.67 -36.59 74.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -0.961 . . . . 0.0 109.376 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.815 ' HB2' ' HG3' ' B' ' 22' ' ' ARG . 72.0 p -63.4 -37.95 89.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 109.255 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.2 -42.49 37.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.292 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 7.6 t70 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.473 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' -2' ' ' SER . 58.7 t0 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.463 ' N ' ' OD1' ' A' ' -3' ' ' ASP . 16.8 m -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -80.8 10.29 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 57.3 tp -52.81 -40.52 63.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OD2' ' A' ' 6' ' ' ASP . 10.3 t -60.94 -25.47 66.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.546 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.85 -25.98 66.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.284 -0.885 . . . . 0.0 109.61 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.2 tp -77.91 -48.68 15.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -65.32 -47.19 77.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 109.353 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.455 ' OD2' ' SG ' ' A' ' 2' ' ' CYS . 76.8 m-20 -61.05 -38.13 85.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 0.0 109.332 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.45 52.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.8 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -1.234 . . . . 0.0 109.937 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -57.97 -43.46 86.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.034 -1.041 . . . . 0.0 109.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.02 -55.52 31.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 109.492 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -55.43 -38.66 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.148 -0.97 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.25 -39.04 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 0.0 109.637 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.72 -40.63 97.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.55 -44.17 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -1.152 . . . . 0.0 110.084 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.06 -36.49 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.149 -0.969 . . . . 0.0 110.455 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.1 -44.48 63.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.153 . . . . 0.0 109.432 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.2 m -67.07 -37.01 83.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 109.876 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.42 86.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.24 -0.912 . . . . 0.0 109.957 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.69 -31.69 72.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -66.54 -50.2 63.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.986 -1.071 . . . . 0.0 109.394 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.26 -39.93 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -56.66 -40.97 76.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.107 -0.996 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.56 -30.66 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.247 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -57.69 -36.84 72.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.168 -0.958 . . . . 0.0 109.391 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -96.2 149.9 21.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -156.27 -45.8 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 0.0 109.535 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -61.51 -38.43 87.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.283 -0.885 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.6 p 47.64 29.18 1.41 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 0.0 109.781 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.21 77.35 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.429 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.616 179.764 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.0 m -59.17 140.07 56.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 49.36 41.88 21.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.121 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 45.5 tp -54.6 -41.3 69.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.428 -0.795 . . . . 0.0 109.68 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.7 t -53.65 -38.04 63.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 109.623 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -56.98 -30.74 64.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tp -74.1 -44.83 52.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.323 -0.861 . . . . 0.0 109.422 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -55.42 -47.7 75.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.188 -0.945 . . . . 0.0 109.114 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.65 -35.76 80.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.2 -52.84 50.94 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.06 -53.31 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -1.205 . . . . 0.0 109.678 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.32 -43.39 88.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.491 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.18 -54.67 30.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.139 -0.976 . . . . 0.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.46 -39.36 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 109.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.26 -40.93 87.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.358 -0.839 . . . . 0.0 109.535 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.44 81.38 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.9 -46.09 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.237 . . . . 0.0 109.907 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.82 -42.43 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 109.966 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.28 -45.03 86.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.068 -1.02 . . . . 0.0 108.973 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -61.41 -41.06 96.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 0.0 110.075 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.26 -51.63 68.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.48 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.5 -31.92 73.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -64.21 -50.55 67.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.016 -1.053 . . . . 0.0 109.461 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.24 -37.29 86.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 109.562 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.413 ' HE ' ' HB2' ' B' ' 29' ' ' ALA . 40.4 ttm180 -55.45 -38.53 69.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.108 -0.995 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -73.56 -32.63 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.366 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -61.77 -42.37 98.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 0.0 109.45 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.82 127.74 43.09 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 109.393 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t -57.5 -35.06 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.239 -0.913 . . . . 0.0 109.418 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.27 146.38 54.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.315 -0.866 . . . . 0.0 109.459 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -69.97 152.82 44.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.146 -0.971 . . . . 0.0 109.3 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.563 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . -57.85 119.65 7.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.25 -0.906 . . . . 0.0 109.138 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.563 ' OXT' ' O ' ' B' ' 29' ' ' ALA . 19.3 m-20 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.518 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 42.7 p30 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.298 0.57 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 1' ' ' LEU . 14.3 m -59.25 -32.13 69.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.243 -0.911 . . . . 0.0 109.783 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -69.68 10.47 0.37 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.4 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' A' ' -2' ' ' SER . 41.8 tp -62.64 -38.48 90.42 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 109.843 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 t -57.66 -34.31 69.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.907 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -57.86 -33.02 68.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.633 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.58 -39.51 80.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.257 -0.902 . . . . 0.0 109.672 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp -62.49 -47.59 83.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.428 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -63.34 -38.61 91.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.916 . . . . 0.0 109.719 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.34 -49.67 74.02 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.53 -55.55 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.236 -1.155 . . . . 0.0 109.809 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 mt -59.24 -40.97 87.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.932 . . . . 0.0 109.608 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -58.22 7.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.862 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -36.72 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.51 -41.61 94.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.85 . . . . 0.0 109.653 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -41.0 92.38 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.07 -47.86 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -1.16 . . . . 0.0 110.122 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.34 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.963 . . . . 0.0 110.022 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.41 -46.68 79.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.368 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -59.88 -40.71 89.64 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 110.105 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.36 77.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.104 -0.997 . . . . 0.0 109.674 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.02 -33.21 75.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.29 -53.03 59.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 0.0 109.61 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.91 -37.65 88.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.692 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.65 -41.42 70.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 0.0 109.473 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.26 -31.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -56.96 -34.2 67.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.948 . . . . 0.0 109.436 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.14 123.1 34.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.23 -0.919 . . . . 0.0 109.273 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -61.43 -43.2 99.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.283 -0.886 . . . . 0.0 109.622 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -58.42 -33.75 70.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 109.42 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 29' ' ' ALA . 34.9 t 48.84 -157.04 0.07 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.914 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.507 ' N ' ' OG ' ' A' ' 28' ' ' SER . . . -59.41 -39.19 82.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 109.511 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.403 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 41.8 p30 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 29.2 t -160.91 145.91 14.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.573 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 50.51 30.8 4.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.05 -36.86 85.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.7 -32.62 65.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 0.0 109.677 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -59.64 -24.67 64.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.092 -1.005 . . . . 0.0 109.335 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 tp -75.3 -45.25 40.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 0.0 109.448 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -61.11 -47.14 87.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.205 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.32 -34.99 77.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.66 44.37 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.23 -51.25 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.166 -1.196 . . . . 0.0 109.918 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.68 -42.71 97.68 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.635 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.26 -53.55 47.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.941 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -55.59 -42.85 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.96 . . . . 0.0 109.529 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -58.94 -38.31 78.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.313 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.83 -43.14 98.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -67.11 -47.47 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.277 -1.131 . . . . 0.0 110.472 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.82 -40.39 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -68.34 -39.63 81.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.352 -179.577 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.089 -1.007 . . . . 0.0 109.931 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -48.93 79.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.76 -35.24 75.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 109.709 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.05 -50.57 67.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.98 -42.4 99.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.196 -0.94 . . . . 0.0 109.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -55.11 -39.15 69.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.462 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.81 -27.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.438 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.2 -43.74 78.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 0.0 109.578 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -143.85 144.25 31.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 0.0 109.567 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -95.54 19.99 10.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.331 -0.856 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 53.69 -137.87 1.17 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.1 m 49.68 85.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 109.356 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.06 -35.11 23.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.247 -0.908 . . . . 0.0 109.537 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.573 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 41.3 p30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 75.3 m -143.57 143.97 31.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.223 -0.923 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -78.48 9.16 4.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.39 -35.57 77.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.139 -0.976 . . . . 0.0 109.288 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.57 -36.45 69.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 0.0 109.452 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.19 -26.51 62.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 108.96 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.28 -43.01 61.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.5 mp -65.96 -47.93 72.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.88 83.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.127 -0.983 . . . . 0.0 109.231 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.43 67.08 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.25 -49.09 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 0.0 109.998 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.999 -1.063 . . . . 0.0 109.377 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.84 -53.82 44.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -54.52 -40.83 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 108.92 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.3 t80 -56.82 -42.67 79.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 0.0 109.275 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.69 95.98 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.95 -45.6 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -1.164 . . . . 0.0 110.198 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.79 -30.96 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 0.0 110.029 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -77.16 -46.33 23.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.001 -1.062 . . . . 0.0 108.896 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.589 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.84 80.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.193 -0.942 . . . . 0.0 109.604 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.19 -29.59 68.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.235 -0.916 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.58 -53.05 53.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.113 -0.992 . . . . 0.0 109.613 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.77 -41.09 96.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -53.15 -43.05 66.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.144 -0.972 . . . . 0.0 109.63 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.52 -32.52 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.109 -0.994 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -58.71 -36.86 74.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 0.0 109.571 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.18 120.82 30.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.153 -0.967 . . . . 0.0 109.534 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -70.73 -37.16 73.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 109.788 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -57.55 -39.28 76.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.759 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m 49.7 27.99 2.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.156 -0.965 . . . . 0.0 109.441 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.43 77.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.644 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 t0 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.494 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -3' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' -2' ' ' SER . 37.5 p-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' B' ' -3' ' ' ASP . 10.7 t -77.41 152.05 34.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.882 . . . . 0.0 109.44 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.53 25.46 2.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 0.0 109.603 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.94 -36.29 82.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 t -50.75 -33.44 23.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.252 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.84 -27.96 69.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.356 -0.84 . . . . 0.0 109.277 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 54.5 tp -72.69 -43.1 63.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -62.15 -46.94 86.75 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.186 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.8 -36.38 74.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.196 -0.94 . . . . 0.0 109.285 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.76 59.79 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.43 -51.02 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.11 -1.229 . . . . 0.0 110.244 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.04 -42.35 99.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.128 -0.983 . . . . 0.0 109.632 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.81 -55.94 19.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.939 . . . . 0.0 109.579 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.97 -37.71 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.945 . . . . 0.0 109.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.76 -42.0 92.28 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.27 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.76 -40.76 99.62 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.73 -45.13 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.149 . . . . 0.0 110.031 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.15 -35.72 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.958 . . . . 0.0 109.988 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -77.29 -42.52 36.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -66.69 -37.72 85.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.11 -0.994 . . . . 0.0 109.525 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.07 83.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 109.799 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 23' ' ' VAL . 66.5 mt -64.59 -29.48 70.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -69.83 -51.08 36.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.005 -1.059 . . . . 0.0 110.117 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.69 -41.03 98.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.019 -1.051 . . . . 0.0 109.662 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -56.37 -38.88 72.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 109.121 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t -68.27 -37.86 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.61 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -64.41 -40.91 96.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.981 . . . . 0.0 108.756 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 25' ' ' PHE . 36.2 p90 -157.54 162.54 38.82 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -151.48 145.35 25.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.103 -0.998 . . . . 0.0 109.577 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -71.75 -22.55 61.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.296 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -62.15 163.3 8.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.82 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.19 -1.62 0.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.213 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.813 -1.089 . . . . 0.0 109.299 -179.861 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 41.7 t -58.52 -28.9 65.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.212 -0.93 . . . . 0.0 109.411 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.89 14.95 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.31 -0.869 . . . . 0.0 109.549 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 57.6 tp -52.78 -41.88 64.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.219 -0.926 . . . . 0.0 109.229 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.73 -33.01 66.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 109.024 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.55 -27.39 69.14 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.083 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.34 -42.7 65.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.383 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.3 mp -69.55 -44.41 70.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 0.0 109.406 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.42 -38.57 91.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 0.0 109.673 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.38 -49.97 72.78 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.03 -52.56 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -1.206 . . . . 0.0 109.93 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.88 -42.44 97.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.099 -1.001 . . . . 0.0 109.57 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.09 -56.38 17.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 0.0 109.708 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.23 -38.91 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.196 -0.94 . . . . 0.0 109.208 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -58.13 -41.86 84.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.65 96.78 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.56 -45.27 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.305 -1.115 . . . . 0.0 110.099 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -68.86 -42.28 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.144 -0.972 . . . . 0.0 110.013 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.36 -37.83 86.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.276 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.9 m -68.57 -40.16 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.123 -0.986 . . . . 0.0 109.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 109.754 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.0 -34.97 79.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 109.761 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.8 -48.94 74.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.022 -1.049 . . . . 0.0 109.79 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.89 -36.6 83.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' PHE . 40.8 ttp180 -58.07 -44.33 87.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.083 -1.011 . . . . 0.0 109.999 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.13 -31.33 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.048 -1.032 . . . . 0.0 109.645 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.33 -36.92 76.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.656 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' ARG . 38.3 p90 -155.64 161.95 40.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.164 -0.96 . . . . 0.0 109.571 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.9 p -157.18 160.44 38.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -72.09 132.35 44.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -60.23 159.23 10.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.853 . . . . 0.0 109.443 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.462 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 16.6 m -59.06 -41.01 86.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 51.69 43.72 29.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.0 -41.03 77.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.259 -0.9 . . . . 0.0 109.441 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 47.6 t -57.51 -35.81 70.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 109.482 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.66 -28.11 68.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.413 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -74.46 -41.67 60.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 0.0 109.294 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.73 -46.63 81.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.08 -39.15 93.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 109.986 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.62 64.56 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.68 -53.21 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.104 -1.233 . . . . 0.0 109.923 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.46 -43.29 93.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.051 . . . . 0.0 109.521 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.55 -53.14 60.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.224 -0.923 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.6 -38.06 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 109.258 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 70.7 t80 -58.03 -42.93 86.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 109.506 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.9 95.44 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.93 -47.07 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -1.211 . . . . 0.0 110.058 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.15 -43.58 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.129 -0.982 . . . . 0.0 109.83 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.04 -43.7 94.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.047 -1.033 . . . . 0.0 108.666 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -60.2 -39.21 85.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 109.788 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.56 75.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.947 . . . . 0.0 109.839 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.49 -31.58 72.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.32 -50.99 63.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.833 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.07 -36.42 84.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.103 -0.998 . . . . 0.0 109.942 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -53.39 -40.51 65.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.09 -1.006 . . . . 0.0 109.343 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.23 -37.54 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.79 -30.99 71.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.231 -0.918 . . . . 0.0 109.612 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -98.24 137.6 36.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -149.76 159.48 44.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.852 . . . . 0.0 109.361 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -65.9 136.32 55.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.563 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -80.32 157.67 26.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.845 . . . . 0.0 109.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.51 49.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.408 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.444 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 34.2 t -55.67 -26.35 44.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.51 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -73.56 8.93 1.57 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 0.0 109.527 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.04 -32.25 72.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.05 -1.031 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.58 -37.92 88.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -57.17 -28.83 63.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.63 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.37 -46.78 59.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 0.0 109.76 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.4 mm? -58.92 -48.92 79.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.01 . . . . 0.0 109.344 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -59.22 -36.91 76.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.093 -1.004 . . . . 0.0 109.715 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.87 62.72 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.33 -52.9 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.253 . . . . 0.0 110.073 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.15 -42.24 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 109.746 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.77 -55.54 22.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.026 -1.046 . . . . 0.0 109.464 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.4 -40.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.069 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -55.6 -43.43 76.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.414 -0.804 . . . . 0.0 109.602 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.16 -37.41 91.38 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.29 -46.89 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.065 -1.256 . . . . 0.0 110.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.01 -36.61 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -0.988 . . . . 0.0 109.894 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -71.96 -43.97 64.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 108.982 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 m -60.81 -38.55 85.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.0 109.656 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.47 64.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.112 -0.992 . . . . 0.0 109.785 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.1 -32.52 73.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -0.926 . . . . 0.0 109.468 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -65.49 -51.1 62.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.107 -0.995 . . . . 0.0 109.731 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.68 -41.07 98.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.903 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -55.21 -39.19 69.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.036 -1.04 . . . . 0.0 109.416 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.54 -29.87 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.92 . . . . 0.0 109.462 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -57.91 -39.24 77.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.23 -0.919 . . . . 0.0 109.679 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -151.54 164.08 37.61 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.429 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -154.28 155.08 34.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.176 -0.952 . . . . 0.0 109.572 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -56.37 -32.77 65.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -56.75 -24.57 50.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.654 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.04 69.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.495 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.7 t0 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.033 -0.985 . . . . 0.0 109.437 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -3' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' B' ' -3' ' ' ASP . 28.6 p-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.235 0.541 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 58.7 m -63.98 166.96 6.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 0.0 109.534 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -62.04 -5.2 2.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.86 -35.79 58.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.09 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -56.64 -33.5 66.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -0.895 . . . . 0.0 109.202 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.23 -26.97 68.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 tp -68.49 -45.92 71.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -62.7 -45.0 94.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 0.0 109.2 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.42 -36.84 81.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.611 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.31 -51.16 58.49 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.2 -46.64 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.14 -1.212 . . . . 0.0 109.845 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.66 -41.77 95.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -0.993 . . . . 0.0 109.563 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -63.27 -54.08 42.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 0.0 109.466 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.15 -36.58 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 109.072 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 66.8 t80 -60.81 -42.44 97.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.405 -0.809 . . . . 0.0 109.37 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.91 96.52 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.75 -46.3 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -1.181 . . . . 0.0 109.935 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.53 -36.31 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.062 -1.024 . . . . 0.0 110.007 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.41 -42.58 58.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 109.389 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -67.17 -38.31 85.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -0.961 . . . . 0.0 109.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.43 85.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.727 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.92 -32.84 74.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -64.82 -51.07 64.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.061 -1.025 . . . . 0.0 109.676 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.707 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -54.93 -41.17 70.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t -70.87 -34.66 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.92 -38.68 70.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.575 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -103.11 128.96 49.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.389 -0.819 . . . . 0.0 109.693 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.538 ' O ' ' N ' ' B' ' 28' ' ' SER . 11.7 m -78.26 169.85 17.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.244 -0.91 . . . . 0.0 109.019 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.426 ' HG2' ' H ' ' B' ' 29' ' ' ALA . 65.4 ttt180 56.99 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.666 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.538 ' N ' ' O ' ' B' ' 26' ' ' SER . 27.5 p 46.57 32.0 1.53 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.082 -1.011 . . . . 0.0 109.688 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.426 ' H ' ' HG2' ' B' ' 27' ' ' ARG . . . -68.75 -34.9 76.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.513 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.423 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.8 t -154.18 151.17 28.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.921 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 52.69 48.91 21.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.777 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.5 -39.85 92.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.254 -0.904 . . . . 0.0 109.446 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.7 t -53.46 -33.25 53.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -61.24 -28.82 69.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.167 -0.958 . . . . 0.0 109.414 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.05 -38.89 92.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 0.0 109.235 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp -67.31 -40.42 86.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 80.2 m-20 -61.46 -40.78 95.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.145 -0.972 . . . . 0.0 109.52 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -49.71 69.56 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.25 -47.15 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -1.174 . . . . 0.0 110.015 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.32 -41.67 96.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.714 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -62.87 -54.91 31.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.0 109.788 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.61 -40.94 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -58.66 -41.3 85.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.727 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.77 96.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.33 -44.95 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 110.066 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.66 -35.09 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -74.94 -40.3 60.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.04 . . . . 0.0 109.235 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.2 m -67.18 -39.02 86.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.161 -0.962 . . . . 0.0 109.667 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -49.66 76.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.792 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.83 -32.75 74.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.767 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.67 -50.78 61.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.51 -42.95 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -54.86 -40.59 69.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -75.59 -34.71 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -56.96 -42.66 80.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 109.826 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -65.38 -28.79 69.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.439 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -71.96 -5.72 36.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.308 -0.87 . . . . 0.0 109.736 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.598 HH11 ' CG ' ' A' ' 27' ' ' ARG . 3.2 mtt-85 51.46 -157.97 0.11 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 0.0 109.392 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -148.18 139.67 23.61 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 109.623 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.49 73.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.782 . . . . 0.0 109.457 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.48 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 63.3 m -61.92 153.91 27.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 0.0 109.51 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -84.46 9.98 12.0 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.288 -0.882 . . . . 0.0 109.528 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.1 -37.0 68.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.121 -0.987 . . . . 0.0 109.203 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 37.4 t -56.12 -38.47 70.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.87 . . . . 0.0 109.468 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -54.56 -25.83 28.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.283 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -63.97 -38.67 91.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.258 -0.902 . . . . 0.0 109.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.07 -42.6 99.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.336 -0.853 . . . . 0.0 108.982 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 94.2 m-20 -63.9 -38.12 89.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 0.0 109.512 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.49 -51.14 60.55 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.96 -54.53 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -1.147 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.82 -41.67 78.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.436 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.84 -57.62 10.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.81 -41.61 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.201 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 87.5 t80 -56.07 -43.83 78.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.213 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.11 -40.69 95.14 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.31 -46.56 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -1.181 . . . . 0.0 109.779 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.64 -36.33 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.94 . . . . 0.0 109.951 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.43 -45.5 65.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.996 -1.065 . . . . 0.0 109.025 -179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.2 m -61.92 -38.62 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.644 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.74 80.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 109.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 32.9 mt -66.85 -33.99 76.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.459 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -63.38 -52.42 61.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.079 -1.013 . . . . 0.0 109.591 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.59 -36.57 84.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.105 -0.997 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -58.74 -40.39 83.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t -73.71 -31.37 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.205 -0.935 . . . . 0.0 109.435 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.52 -40.56 83.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.955 . . . . 0.0 109.437 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -152.76 160.68 43.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.228 -0.92 . . . . 0.0 109.591 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.5 m -154.75 -10.86 0.13 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.276 -0.89 . . . . 0.0 109.195 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.48 136.45 54.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.0 109.268 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t 50.65 73.44 0.28 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.305 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -27.38 66.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.472 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.494 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.1 m -65.8 153.67 41.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.332 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.78 9.04 6.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 109.577 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.66 -43.27 80.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 0.0 109.578 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.09 -34.66 75.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.973 . . . . 0.0 109.691 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.63 -22.62 57.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.8 tp -76.17 -45.84 31.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -65.95 -46.23 78.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.19 -0.944 . . . . 0.0 109.463 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 95.1 m-20 -62.15 -37.8 86.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.68 43.88 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.87 -53.96 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.1 -1.236 . . . . 0.0 109.642 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.68 -43.17 94.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.491 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.98 -54.06 44.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.951 . . . . 0.0 109.714 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.74 -39.48 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.058 -1.026 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.22 -42.4 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.671 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.58 90.23 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.17 -47.85 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -1.176 . . . . 0.0 110.019 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.04 -43.87 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.063 -1.023 . . . . 0.0 109.952 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -63.15 -43.57 97.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -0.979 . . . . 0.0 108.972 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -60.39 -40.63 91.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 110.003 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.46 73.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.092 -1.005 . . . . 0.0 109.831 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.49 -32.82 74.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 109.697 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.79 -53.19 59.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.04 -1.038 . . . . 0.0 109.63 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.25 -38.7 92.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.139 -0.976 . . . . 0.0 109.539 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.06 -42.21 65.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.549 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -75.12 -31.31 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.489 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -58.48 -37.9 76.49 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.836 . . . . 0.0 109.916 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -88.5 134.26 33.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.002 -1.061 . . . . 0.0 109.409 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -77.23 157.17 30.99 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.357 -0.839 . . . . 0.0 109.363 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -141.13 164.59 29.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 29' ' ' ALA . 15.2 t -145.36 142.61 29.53 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.311 -0.868 . . . . 0.0 109.18 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' SER . . . 49.37 -175.59 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.467 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.622 -179.916 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 54.1 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 38.2 m -61.84 -26.42 68.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 0.0 109.57 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -81.92 11.32 5.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.326 -0.859 . . . . 0.0 109.588 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.45 -37.38 83.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.987 . . . . 0.0 109.839 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -55.56 -37.43 68.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.106 -0.996 . . . . 0.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.49 -28.03 69.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.163 -0.961 . . . . 0.0 109.584 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.84 -43.34 72.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 0.0 109.59 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.3 mp -66.08 -45.41 81.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.064 -1.023 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 90.7 m-20 -60.89 -38.7 86.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.13 -52.34 53.89 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.34 -51.06 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 0.0 109.721 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.45 -43.12 99.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.122 -0.986 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.25 -56.4 18.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.191 -0.943 . . . . 0.0 109.426 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.67 -40.08 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 108.959 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 79.8 t80 -57.43 -40.34 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.95 -41.65 99.67 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -68.3 -43.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.233 -1.157 . . . . 0.0 110.163 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -70.12 -38.39 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -71.9 -41.75 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 108.975 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.8 m -66.91 -38.31 85.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 109.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 110.0 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.09 -35.3 76.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.155 -0.966 . . . . 0.0 109.553 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.8 -51.48 61.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.93 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.99 -35.67 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.108 -0.995 . . . . 0.0 110.129 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -56.65 -43.51 80.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.04 -1.037 . . . . 0.0 109.776 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.42 -29.03 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.0 109.822 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -61.12 -54.1 48.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.34 -36.21 71.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' ARG . 6.5 t -60.56 -49.56 77.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.962 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' B' ' 26' ' ' SER . 45.9 ttp180 46.35 94.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.267 -0.895 . . . . 0.0 109.736 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -145.4 159.15 43.51 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.3 -0.875 . . . . 0.0 109.383 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.87 144.88 55.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.339 -0.851 . . . . 0.0 109.374 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 1.033 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 2.3 p30 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.117 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 54.2 m -60.04 -31.03 69.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -79.38 8.82 5.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 109.213 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 53.0 tp -70.57 -37.58 74.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.311 -0.868 . . . . 0.0 109.435 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.4 t -56.19 -32.47 64.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 109.478 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -59.19 -27.39 65.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.952 . . . . 0.0 109.411 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.8 tp -70.97 -41.94 70.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.919 . . . . 0.0 109.281 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp -61.98 -45.19 94.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.211 -0.931 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -63.42 -37.46 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.458 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.16 -51.68 57.36 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.99 -52.45 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -1.228 . . . . 0.0 109.506 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.01 -42.14 98.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.21 -54.49 36.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 0.0 109.68 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -56.17 -39.97 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.173 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.588 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.4 t80 -57.15 -40.21 76.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.384 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.52 98.97 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.59 -43.55 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.15 -1.206 . . . . 0.0 109.847 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.23 -41.82 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.925 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.64 -40.92 80.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.138 -0.977 . . . . 0.0 109.36 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 m -70.19 -36.75 74.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.025 -1.047 . . . . 0.0 109.756 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.22 82.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.11 -32.78 74.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.464 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.57 -51.4 65.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.968 . . . . 0.0 109.735 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.06 -37.81 88.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.721 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -57.97 -39.55 78.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 0.0 109.619 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.8 t -74.58 -28.66 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.915 . . . . 0.0 109.551 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -51.8 -40.37 60.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 0.0 109.494 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -93.56 123.81 37.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.215 -0.928 . . . . 0.0 109.54 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -80.29 134.78 36.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' SER . 98.8 mtt180 45.75 -116.52 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.269 -0.894 . . . . 0.0 109.771 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.471 ' OG ' ' N ' ' A' ' 29' ' ' ALA . 2.0 t 51.96 176.83 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 109.788 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . . . 57.78 3.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.649 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 28' ' ' SER . 36.2 p-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.528 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 16.9 p -75.48 155.85 35.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.403 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -69.47 -29.33 66.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.273 -0.892 . . . . 0.0 109.63 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.45 -41.24 98.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.213 -0.93 . . . . 0.0 109.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t -61.52 -35.46 77.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.75 -28.69 68.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.68 -41.87 78.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.84 -47.98 81.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.252 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.34 -38.75 84.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.06 -49.28 80.15 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.9 -55.05 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -1.199 . . . . 0.0 109.953 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.06 -41.82 88.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.148 -0.97 . . . . 0.0 109.572 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.51 -55.17 30.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.169 -0.957 . . . . 0.0 109.596 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.58 -41.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 109.156 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -55.11 -43.57 74.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.231 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.93 93.35 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.49 -46.92 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -1.188 . . . . 0.0 109.847 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.71 -38.33 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.131 -0.981 . . . . 0.0 110.009 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.12 -43.3 78.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.993 -1.067 . . . . 0.0 108.863 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 -38.86 90.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.01 . . . . 0.0 109.427 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.21 66.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.435 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.01 -33.33 75.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -50.94 70.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.062 -1.024 . . . . 0.0 109.44 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.4 -38.74 90.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -55.54 -40.26 71.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.1 -37.21 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 109.114 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.92 -39.09 76.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.19 -0.944 . . . . 0.0 109.315 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -68.59 -32.52 72.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -0.92 . . . . 0.0 109.104 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -61.82 -29.82 70.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 109.518 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -60.77 153.86 23.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.444 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -53.89 -36.42 62.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.223 -0.923 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.85 -118.76 0.99 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.0 109.539 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.489 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.289 0.566 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.12 144.8 25.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 0.0 109.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -70.79 -19.11 62.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.313 -0.867 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.79 -44.77 93.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.277 -0.89 . . . . 0.0 109.566 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 t -59.28 -36.38 75.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 109.498 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -61.57 -29.31 69.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.311 -0.868 . . . . 0.0 109.485 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.63 -39.43 94.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.933 . . . . 0.0 109.287 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -62.33 -43.77 98.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.22 -0.925 . . . . 0.0 108.849 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 89.6 m-20 -60.01 -38.8 83.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.57 -49.68 71.3 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.24 -52.29 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -1.207 . . . . 0.0 109.655 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.41 -38.76 85.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.162 -0.961 . . . . 0.0 109.459 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.8 -54.35 32.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.963 -1.085 . . . . 0.0 109.204 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.03 -35.15 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.942 . . . . 0.0 109.036 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -59.58 -41.27 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.428 -0.795 . . . . 0.0 109.394 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.5 -38.52 90.79 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.34 -45.11 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.138 -1.213 . . . . 0.0 109.93 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.6 mt -65.6 -42.77 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.02 . . . . 0.0 109.787 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.93 -45.44 81.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.021 -1.049 . . . . 0.0 108.83 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -60.05 -39.3 85.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.284 -0.885 . . . . 0.0 109.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.47 64.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.158 -0.964 . . . . 0.0 109.802 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.09 -34.56 75.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.5 -49.58 72.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.087 -1.008 . . . . 0.0 109.765 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.47 -39.58 88.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.016 -1.053 . . . . 0.0 110.048 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -55.15 -40.55 70.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.097 -1.002 . . . . 0.0 109.644 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.12 -30.98 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.62 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.77 -40.62 88.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 0.0 109.629 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.15 -25.36 63.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.637 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -58.56 -36.41 73.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 109.62 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.551 HH11 ' CG ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -56.82 -36.08 69.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.584 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p 56.78 -175.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.27 -0.894 . . . . 0.0 109.567 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.51 159.14 35.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.505 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 35.0 p30 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -3' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' B' ' -1' ' ' LYS . 44.7 t0 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 35.6 t -74.27 16.47 0.25 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' B' ' -3' ' ' ASP . 94.0 mttt -75.96 7.79 3.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.61 -46.34 10.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.064 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.09 -31.46 65.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.77 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.1 -26.1 59.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.575 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.07 -37.88 84.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.0 109.424 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 5' ' ' LEU . 4.0 mm? -65.59 -42.33 91.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 82.2 m-20 -64.92 -37.18 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.958 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.27 53.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.54 -54.46 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -1.177 . . . . 0.0 109.803 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 mt -57.69 -41.33 81.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.062 -1.024 . . . . 0.0 109.705 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.52 -52.48 61.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.074 -1.016 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.12 -40.25 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.133 -0.979 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -56.95 -42.44 80.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 109.354 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.62 -39.72 98.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.45 -48.46 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.288 -1.125 . . . . 0.0 110.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.22 -39.61 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.827 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.64 -39.37 73.7 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.091 -1.006 . . . . 0.0 109.397 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -66.93 -38.76 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 109.818 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.78 80.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 109.811 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.83 -35.26 77.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.89 -50.64 67.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.062 -1.024 . . . . 0.0 109.356 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.74 -39.72 94.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.16 -42.24 76.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.957 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.1 -36.35 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.22 -0.925 . . . . 0.0 109.19 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -57.58 -37.09 72.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -95.12 129.28 42.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -36.8 72.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 109.37 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -161.48 161.25 30.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.292 -0.88 . . . . 0.0 109.514 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.6 t -77.8 140.3 39.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.216 -0.927 . . . . 0.0 109.27 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' B' ' 30' ' ' ASP . . . -165.73 135.22 3.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 109.412 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 29' ' ' ALA . 52.9 m-20 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.419 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.85 -36.7 81.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.126 -0.984 . . . . 0.0 109.546 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.53 -52.38 53.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.89 -53.07 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -1.177 . . . . 0.0 109.96 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.81 -44.12 86.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 0.0 109.637 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.23 -56.25 20.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.6 -38.28 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.125 -0.984 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.1 t80 -59.97 -41.5 92.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.411 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.87 -40.31 99.1 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.2 -47.77 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 0.0 109.981 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -65.84 -42.52 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.952 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.72 -40.27 88.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.183 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -66.22 -38.05 87.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.16 -0.962 . . . . 0.0 109.626 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.22 -0.925 . . . . 0.0 109.71 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.62 -36.33 80.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.547 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.5 -51.81 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.054 -1.028 . . . . 0.0 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.64 -40.03 94.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.435 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' A' ' 22' ' ' ARG . 21.8 ttm-85 -56.81 -43.69 81.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.461 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 109.6 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -64.44 -46.89 81.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 0.0 109.398 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.12 -36.41 81.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.267 -0.896 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 -50.79 63.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.006 -1.238 . . . . 0.0 110.006 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.82 -52.64 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -1.227 . . . . 0.0 109.995 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.046 -1.034 . . . . 0.0 109.76 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -61.94 -53.28 57.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.0 109.741 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.73 -36.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.42 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.9 -41.15 95.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -38.73 94.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.34 -46.03 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -1.172 . . . . 0.0 110.114 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 99.6 mt -64.04 -37.71 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.087 -1.008 . . . . 0.0 110.024 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.19 -46.63 60.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.116 -0.99 . . . . 0.0 108.912 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -58.55 -39.79 81.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.748 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.31 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.177 -0.952 . . . . 0.0 109.722 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.44 -30.95 71.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 109.55 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.79 -51.53 54.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 0.0 109.736 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt -63.13 -38.11 89.9 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 109.827 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.08 -42.93 81.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.049 -1.032 . . . . 0.0 109.406 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.336 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.77 -37.48 84.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.732 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.85 88.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.51 -52.53 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -1.204 . . . . 0.0 109.975 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.06 -40.84 98.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.144 -0.973 . . . . 0.0 109.787 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.49 -54.43 36.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.65 -36.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.185 -0.947 . . . . 0.0 109.283 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.13 -41.4 98.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.61 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.19 95.34 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.44 -47.34 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -1.148 . . . . 0.0 110.146 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.28 -38.53 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.994 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.27 -39.53 68.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 0.0 109.499 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m -67.07 -40.24 86.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.067 -1.02 . . . . 0.0 109.945 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.86 83.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 0.0 109.897 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.47 -33.05 74.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.0 109.655 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.73 -50.65 64.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -0.975 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.17 -40.68 98.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.95 . . . . 0.0 109.813 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -54.3 -40.25 67.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.069 -1.019 . . . . 0.0 109.439 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.406 179.827 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.36 -45.73 86.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -61.48 -37.0 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.281 -0.887 . . . . 0.0 109.292 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.42 -52.99 49.91 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.64 -50.66 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -1.207 . . . . 0.0 109.35 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.62 -39.28 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.086 -1.009 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.22 -55.49 21.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.46 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -54.38 -38.59 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 109.095 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 85.4 t80 -56.7 -44.32 81.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.354 -0.841 . . . . 0.0 109.148 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.18 -39.63 97.28 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.68 -46.96 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.132 -1.216 . . . . 0.0 109.88 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.65 -37.01 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.159 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.58 -46.28 59.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.063 -1.023 . . . . 0.0 109.215 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -58.14 -38.78 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 0.0 109.796 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.24 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.227 -0.921 . . . . 0.0 110.11 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.67 -33.21 75.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.105 -0.997 . . . . 0.0 109.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -64.37 -49.42 71.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.0 109.575 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.57 -40.48 89.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 0.0 109.833 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.49 -39.5 70.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.97 -1.081 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.436 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 87.2 m-20 -59.17 -39.66 83.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -50.06 66.6 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.8 -46.15 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -1.185 . . . . 0.0 109.751 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.17 -43.11 99.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.082 -1.011 . . . . 0.0 109.607 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -61.7 -53.4 56.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.541 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.98 -37.53 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.244 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.34 -42.17 86.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.365 -0.835 . . . . 0.0 109.431 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.96 -40.74 93.48 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.68 -44.58 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.051 -1.264 . . . . 0.0 109.955 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.94 -42.51 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.066 -1.021 . . . . 0.0 110.004 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.79 -44.71 84.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 108.659 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 m -60.31 -39.92 88.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.78 83.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -66.36 -30.81 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 109.643 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -67.87 -51.36 49.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.056 -1.027 . . . . 0.0 109.875 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.35 -36.46 82.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 110.082 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -57.6 -42.34 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.016 -1.052 . . . . 0.0 109.667 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.471 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 tp . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -63.42 -43.93 96.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 87.8 m-20 -62.21 -40.48 96.23 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 109.664 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.94 -48.85 84.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 82.4 mt -67.6 -47.7 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.24 -1.153 . . . . 0.0 109.931 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.09 -40.61 90.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.06 -1.025 . . . . 0.0 109.821 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.02 -53.74 53.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.171 -0.956 . . . . 0.0 109.778 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.12 -38.34 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.195 -0.941 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.514 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 73.9 t80 -60.48 -40.71 92.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.21 -0.931 . . . . 0.0 109.4 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.69 99.69 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.77 -44.78 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.252 -1.146 . . . . 0.0 110.006 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.78 -38.7 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.931 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.8 -39.28 73.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.072 -1.017 . . . . 0.0 109.095 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -68.64 -39.61 80.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.15 74.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 109.657 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.8 -32.35 72.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.988 . . . . 0.0 109.358 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -66.16 -50.5 63.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.27 -40.56 96.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.904 . . . . 0.0 109.298 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -51.8 -39.36 58.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.301 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.4 mp . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.8 m-20 -63.38 -39.08 93.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.38 -52.56 52.0 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.62 -52.99 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.229 -1.159 . . . . 0.0 109.985 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.9 mt -58.91 -43.09 91.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.801 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.76 -56.53 16.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -53.22 -38.39 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.199 -0.938 . . . . 0.0 109.256 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 80.1 t80 -61.12 -40.27 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 109.571 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.65 -41.33 99.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.72 -47.48 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -1.174 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -38.91 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.978 . . . . 0.0 110.15 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -71.2 -42.77 68.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.949 -1.095 . . . . 0.0 109.364 -179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -64.61 -39.09 93.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.723 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.66 79.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.0 109.754 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.7 -32.84 74.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.548 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.21 -51.29 59.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.17 -0.956 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.05 -39.26 94.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -57.52 -42.58 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.564 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.5 mp -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 108.992 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.5 m-20 -63.08 -37.53 87.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.0 109.51 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -50.49 66.96 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -48.8 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -1.21 . . . . 0.0 109.565 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.2 -41.38 99.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.104 -0.997 . . . . 0.0 109.409 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.32 -56.32 19.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.58 -40.92 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 0.0 108.96 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.88 -42.1 83.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.347 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.48 95.24 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.79 -50.22 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -1.183 . . . . 0.0 110.197 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.75 -42.07 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.16 -44.86 82.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.054 -1.029 . . . . 0.0 108.929 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m -60.68 -40.01 90.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.91 71.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.752 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.44 -33.01 74.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 109.48 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.43 -51.22 59.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.94 -39.68 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.972 . . . . 0.0 109.615 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.527 ' O ' ' NE ' ' B' ' 22' ' ' ARG . 8.7 tpm_? -57.42 -34.06 68.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.104 -0.997 . . . . 0.0 109.602 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.2 mp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 94.6 m-20 -63.32 -39.0 93.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 0.0 109.65 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 -51.7 57.12 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 -50.29 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.199 -1.177 . . . . 0.0 109.62 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.75 -41.52 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.737 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.56 -55.27 25.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.674 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.47 -38.51 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.198 -0.939 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.3 t80 -59.99 -42.52 94.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 0.0 109.2 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.19 -40.3 98.8 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.92 -43.85 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -1.12 . . . . 0.0 109.78 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -72.27 -39.95 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.134 -0.978 . . . . 0.0 110.239 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.79 -39.17 80.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.23 -179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 m -69.31 -40.32 77.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.074 -1.016 . . . . 0.0 109.793 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.09 86.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.056 -1.027 . . . . 0.0 109.711 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.53 -34.37 77.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.157 -0.964 . . . . 0.0 109.44 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -64.64 -52.8 55.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.097 -1.002 . . . . 0.0 109.646 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -41.19 91.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.448 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -54.43 -40.21 68.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.932 . . . . 0.0 109.223 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 121.376 -0.827 . . . . 0.0 109.644 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -61.25 -46.18 91.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.898 . . . . 0.0 109.216 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 92.7 m-20 -59.54 -38.08 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.204 -0.935 . . . . 0.0 109.534 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.39 -51.55 57.24 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.43 -56.85 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.156 -1.202 . . . . 0.0 109.825 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.23 -43.03 74.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.551 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.81 -55.04 37.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -0.95 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.83 -38.11 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -58.24 -42.5 86.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.567 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.22 92.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.06 -45.09 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -1.149 . . . . 0.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.11 -33.14 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.162 -0.961 . . . . 0.0 110.114 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.57 -46.02 41.54 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.164 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.51 -39.35 87.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 110.026 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.97 87.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.813 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.59 -33.5 75.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.138 -0.976 . . . . 0.0 109.855 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.58 -51.74 64.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.947 -1.096 . . . . 0.0 109.767 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.79 -38.38 88.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.012 -1.055 . . . . 0.0 109.698 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -56.62 -44.87 81.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 0.0 109.481 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.376 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.1 m-20 -61.85 -39.16 90.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 0.0 109.687 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -50.96 61.87 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.83 -44.94 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.187 -1.184 . . . . 0.0 109.569 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.24 -40.66 81.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.145 -0.972 . . . . 0.0 109.327 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.8 -55.86 19.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.495 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.87 -39.3 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.173 -0.954 . . . . 0.0 109.106 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.39 -40.88 83.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.685 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.44 -37.7 90.36 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.32 -45.9 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -1.192 . . . . 0.0 110.193 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.28 -40.76 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.012 -1.055 . . . . 0.0 110.003 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -67.01 -45.33 77.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.076 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.1 m -59.84 -40.33 88.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 109.871 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.5 69.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.941 . . . . 0.0 109.649 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.05 -33.3 75.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.175 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -65.11 -50.57 65.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.183 -0.948 . . . . 0.0 109.372 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.9 -46.24 88.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.232 -0.917 . . . . 0.0 109.611 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -52.82 -39.0 62.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.281 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.3 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.533 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.192 0.52 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.493 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.2 mp -62.57 -46.95 86.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.968 . . . . 0.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.1 m-20 -61.11 -36.94 81.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.0 109.685 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.29 66.92 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.93 -48.48 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.241 . . . . 0.0 109.819 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.34 -41.95 98.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.136 -0.978 . . . . 0.0 109.653 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.52 -53.83 51.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 109.646 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.63 -39.38 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.0 109.222 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.39 -41.29 93.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.29 99.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.57 -46.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -1.159 . . . . 0.0 109.824 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.54 -34.98 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.163 -0.961 . . . . 0.0 110.104 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.98 -41.44 59.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 0.0 109.4 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -66.33 -38.4 87.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.71 76.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.207 -0.933 . . . . 0.0 109.781 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.97 -33.66 75.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.141 -0.974 . . . . 0.0 109.516 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.48 -50.23 64.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.61 -42.65 86.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.108 -0.995 . . . . 0.0 110.049 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -54.78 -41.27 70.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 109.627 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.384 179.868 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -61.05 -38.13 85.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 0.0 109.332 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.45 52.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.8 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -1.234 . . . . 0.0 109.937 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -57.97 -43.46 86.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.034 -1.041 . . . . 0.0 109.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.02 -55.52 31.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 109.492 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -55.43 -38.66 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.148 -0.97 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.25 -39.04 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 0.0 109.637 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.72 -40.63 97.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.55 -44.17 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -1.152 . . . . 0.0 110.084 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.06 -36.49 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.149 -0.969 . . . . 0.0 110.455 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.1 -44.48 63.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.153 . . . . 0.0 109.432 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.2 m -67.07 -37.01 83.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 109.876 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.42 86.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.24 -0.912 . . . . 0.0 109.957 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.69 -31.69 72.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -66.54 -50.2 63.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.986 -1.071 . . . . 0.0 109.394 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.26 -39.93 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -56.66 -40.97 76.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.107 -0.996 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.6 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.247 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -55.42 -47.7 75.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.188 -0.945 . . . . 0.0 109.114 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.65 -35.76 80.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.2 -52.84 50.94 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.06 -53.31 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -1.205 . . . . 0.0 109.678 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.32 -43.39 88.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.491 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.18 -54.67 30.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.139 -0.976 . . . . 0.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.46 -39.36 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 109.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.26 -40.93 87.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.358 -0.839 . . . . 0.0 109.535 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.44 81.38 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.9 -46.09 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.237 . . . . 0.0 109.907 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.82 -42.43 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 109.966 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.28 -45.03 86.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.068 -1.02 . . . . 0.0 108.973 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -61.41 -41.06 96.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 0.0 110.075 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.26 -51.63 68.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.48 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.5 -31.92 73.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -64.21 -50.55 67.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.016 -1.053 . . . . 0.0 109.461 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.24 -37.29 86.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 109.562 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.45 -38.53 69.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.108 -0.995 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.366 179.714 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -63.34 -38.61 91.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.916 . . . . 0.0 109.719 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.34 -49.67 74.02 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.53 -55.55 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.236 -1.155 . . . . 0.0 109.809 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 mt -59.24 -40.97 87.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.932 . . . . 0.0 109.608 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -58.22 7.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.862 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -36.72 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.51 -41.61 94.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.85 . . . . 0.0 109.653 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -41.0 92.38 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.07 -47.86 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -1.16 . . . . 0.0 110.122 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.34 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.963 . . . . 0.0 110.022 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.41 -46.68 79.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.368 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -59.88 -40.71 89.64 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 110.105 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.36 77.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.104 -0.997 . . . . 0.0 109.674 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.02 -33.21 75.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.29 -53.03 59.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 0.0 109.61 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.91 -37.65 88.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.692 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.65 -41.42 70.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 0.0 109.473 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.436 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -61.11 -47.14 87.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.205 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.32 -34.99 77.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.66 44.37 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.23 -51.25 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.166 -1.196 . . . . 0.0 109.918 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.68 -42.71 97.68 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.635 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.26 -53.55 47.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.941 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -55.59 -42.85 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.96 . . . . 0.0 109.529 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -58.94 -38.31 78.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.313 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.83 -43.14 98.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -67.11 -47.47 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.277 -1.131 . . . . 0.0 110.472 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.82 -40.39 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -68.34 -39.63 81.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.352 -179.577 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.089 -1.007 . . . . 0.0 109.931 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -48.93 79.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.76 -35.24 75.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 109.709 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.05 -50.57 67.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.98 -42.4 99.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.196 -0.94 . . . . 0.0 109.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -55.11 -39.15 69.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.462 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.438 179.685 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.5 mp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.88 83.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.127 -0.983 . . . . 0.0 109.231 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.43 67.08 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.25 -49.09 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 0.0 109.998 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.999 -1.063 . . . . 0.0 109.377 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.84 -53.82 44.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -54.52 -40.83 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 108.92 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.3 t80 -56.82 -42.67 79.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 0.0 109.275 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.69 95.98 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.95 -45.6 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -1.164 . . . . 0.0 110.198 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.79 -30.96 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 0.0 110.029 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -77.16 -46.33 23.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.001 -1.062 . . . . 0.0 108.896 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.589 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.84 80.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.193 -0.942 . . . . 0.0 109.604 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.19 -29.59 68.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.235 -0.916 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.58 -53.05 53.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.113 -0.992 . . . . 0.0 109.613 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.77 -41.09 96.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -53.15 -43.05 66.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.144 -0.972 . . . . 0.0 109.63 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.109 -0.994 . . . . 0.0 109.581 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -62.15 -46.94 86.75 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.186 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.8 -36.38 74.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.196 -0.94 . . . . 0.0 109.285 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.76 59.79 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.43 -51.02 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.11 -1.229 . . . . 0.0 110.244 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.04 -42.35 99.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.128 -0.983 . . . . 0.0 109.632 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.81 -55.94 19.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.939 . . . . 0.0 109.579 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.97 -37.71 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.945 . . . . 0.0 109.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.76 -42.0 92.28 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.27 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.76 -40.76 99.62 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.73 -45.13 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.149 . . . . 0.0 110.031 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.15 -35.72 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.958 . . . . 0.0 109.988 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -77.29 -42.52 36.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -66.69 -37.72 85.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.11 -0.994 . . . . 0.0 109.525 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.07 83.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 109.799 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 23' ' ' VAL . 66.5 mt -64.59 -29.48 70.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -69.83 -51.08 36.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.005 -1.059 . . . . 0.0 110.117 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.69 -41.03 98.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.019 -1.051 . . . . 0.0 109.662 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -56.37 -38.88 72.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 109.121 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.61 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.3 mp . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.42 -38.57 91.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 0.0 109.673 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.38 -49.97 72.78 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.03 -52.56 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -1.206 . . . . 0.0 109.93 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.88 -42.44 97.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.099 -1.001 . . . . 0.0 109.57 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.09 -56.38 17.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 0.0 109.708 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.23 -38.91 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.196 -0.94 . . . . 0.0 109.208 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -58.13 -41.86 84.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.65 96.78 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.56 -45.27 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.305 -1.115 . . . . 0.0 110.099 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -68.86 -42.28 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.144 -0.972 . . . . 0.0 110.013 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.36 -37.83 86.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.276 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.9 m -68.57 -40.16 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.123 -0.986 . . . . 0.0 109.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 109.754 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.0 -34.97 79.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 109.761 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.8 -48.94 74.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.022 -1.049 . . . . 0.0 109.79 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.89 -36.6 83.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -58.07 -44.33 87.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.083 -1.011 . . . . 0.0 109.999 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.048 -1.032 . . . . 0.0 109.645 -179.778 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.73 -46.63 81.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.08 -39.15 93.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 109.986 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.62 64.56 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.68 -53.21 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.104 -1.233 . . . . 0.0 109.923 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.46 -43.29 93.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.051 . . . . 0.0 109.521 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.55 -53.14 60.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.224 -0.923 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.6 -38.06 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 109.258 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 70.7 t80 -58.03 -42.93 86.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 109.506 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.9 95.44 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.93 -47.07 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -1.211 . . . . 0.0 110.058 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.15 -43.58 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.129 -0.982 . . . . 0.0 109.83 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.04 -43.7 94.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.047 -1.033 . . . . 0.0 108.666 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -60.2 -39.21 85.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 109.788 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.56 75.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.947 . . . . 0.0 109.839 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.49 -31.58 72.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.32 -50.99 63.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.833 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.07 -36.42 84.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.103 -0.998 . . . . 0.0 109.942 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -53.39 -40.51 65.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.09 -1.006 . . . . 0.0 109.343 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.631 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -59.22 -36.91 76.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.093 -1.004 . . . . 0.0 109.715 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.87 62.72 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.33 -52.9 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.253 . . . . 0.0 110.073 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.15 -42.24 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 109.746 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.77 -55.54 22.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.026 -1.046 . . . . 0.0 109.464 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.4 -40.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.069 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -55.6 -43.43 76.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.414 -0.804 . . . . 0.0 109.602 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.16 -37.41 91.38 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.29 -46.89 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.065 -1.256 . . . . 0.0 110.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.01 -36.61 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -0.988 . . . . 0.0 109.894 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -71.96 -43.97 64.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 108.982 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 m -60.81 -38.55 85.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.0 109.656 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.47 64.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.112 -0.992 . . . . 0.0 109.785 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.1 -32.52 73.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -0.926 . . . . 0.0 109.468 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -65.49 -51.1 62.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.107 -0.995 . . . . 0.0 109.731 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.68 -41.07 98.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.903 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -55.21 -39.19 69.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.036 -1.04 . . . . 0.0 109.416 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.92 . . . . 0.0 109.462 179.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -62.7 -45.0 94.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 0.0 109.2 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.42 -36.84 81.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.611 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.31 -51.16 58.49 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.2 -46.64 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.14 -1.212 . . . . 0.0 109.845 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.66 -41.77 95.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -0.993 . . . . 0.0 109.563 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -63.27 -54.08 42.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 0.0 109.466 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.15 -36.58 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 109.072 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 66.8 t80 -60.81 -42.44 97.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.405 -0.809 . . . . 0.0 109.37 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.91 96.52 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.75 -46.3 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -1.181 . . . . 0.0 109.935 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.53 -36.31 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.062 -1.024 . . . . 0.0 110.007 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.41 -42.58 58.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 109.389 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -67.17 -38.31 85.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -0.961 . . . . 0.0 109.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.43 85.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.727 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.92 -32.84 74.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -64.82 -51.07 64.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.061 -1.025 . . . . 0.0 109.676 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.707 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -54.93 -41.17 70.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 80.2 m-20 -61.46 -40.78 95.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.145 -0.972 . . . . 0.0 109.52 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -49.71 69.56 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.25 -47.15 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -1.174 . . . . 0.0 110.015 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.32 -41.67 96.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.714 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -62.87 -54.91 31.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.0 109.788 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.61 -40.94 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -58.66 -41.3 85.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.727 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.77 96.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.33 -44.95 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 110.066 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.66 -35.09 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -74.94 -40.3 60.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.04 . . . . 0.0 109.235 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.2 m -67.18 -39.02 86.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.161 -0.962 . . . . 0.0 109.667 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -49.66 76.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.792 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.83 -32.75 74.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.767 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.67 -50.78 61.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.51 -42.95 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -54.86 -40.59 69.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 179.753 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.07 -42.6 99.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.336 -0.853 . . . . 0.0 108.982 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 94.2 m-20 -63.9 -38.12 89.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 0.0 109.512 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.49 -51.14 60.55 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.96 -54.53 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -1.147 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.82 -41.67 78.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.436 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.84 -57.62 10.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.81 -41.61 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.201 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 87.5 t80 -56.07 -43.83 78.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.213 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.11 -40.69 95.14 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.31 -46.56 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -1.181 . . . . 0.0 109.779 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.64 -36.33 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.94 . . . . 0.0 109.951 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.43 -45.5 65.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.996 -1.065 . . . . 0.0 109.025 -179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.2 m -61.92 -38.62 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.644 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.74 80.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 109.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 32.9 mt -66.85 -33.99 76.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.459 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -63.38 -52.42 61.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.079 -1.013 . . . . 0.0 109.591 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.59 -36.57 84.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.105 -0.997 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -58.74 -40.39 83.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.205 -0.935 . . . . 0.0 109.435 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 95.1 m-20 -62.15 -37.8 86.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.68 43.88 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.87 -53.96 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.1 -1.236 . . . . 0.0 109.642 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.68 -43.17 94.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.491 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.98 -54.06 44.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.951 . . . . 0.0 109.714 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.74 -39.48 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.058 -1.026 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.22 -42.4 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.671 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.58 90.23 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.17 -47.85 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -1.176 . . . . 0.0 110.019 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.04 -43.87 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.063 -1.023 . . . . 0.0 109.952 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -63.15 -43.57 97.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -0.979 . . . . 0.0 108.972 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -60.39 -40.63 91.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 110.003 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.46 73.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.092 -1.005 . . . . 0.0 109.831 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.49 -32.82 74.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 109.697 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.79 -53.19 59.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.04 -1.038 . . . . 0.0 109.63 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.25 -38.7 92.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.139 -0.976 . . . . 0.0 109.539 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.06 -42.21 65.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.549 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.489 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.3 mp -66.08 -45.41 81.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.064 -1.023 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 90.7 m-20 -60.89 -38.7 86.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.13 -52.34 53.89 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.34 -51.06 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 0.0 109.721 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.45 -43.12 99.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.122 -0.986 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.25 -56.4 18.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.191 -0.943 . . . . 0.0 109.426 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.67 -40.08 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 108.959 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 79.8 t80 -57.43 -40.34 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.95 -41.65 99.67 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -68.3 -43.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.233 -1.157 . . . . 0.0 110.163 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -70.12 -38.39 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -71.9 -41.75 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 108.975 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.8 m -66.91 -38.31 85.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 109.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 110.0 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.09 -35.3 76.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.155 -0.966 . . . . 0.0 109.553 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.8 -51.48 61.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.93 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.99 -35.67 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.108 -0.995 . . . . 0.0 110.129 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -56.65 -43.51 80.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.04 -1.037 . . . . 0.0 109.776 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.0 109.822 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -63.42 -37.46 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.458 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.16 -51.68 57.36 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.99 -52.45 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -1.228 . . . . 0.0 109.506 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.01 -42.14 98.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.21 -54.49 36.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 0.0 109.68 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -56.17 -39.97 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.173 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.588 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.4 t80 -57.15 -40.21 76.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.384 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.52 98.97 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.59 -43.55 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.15 -1.206 . . . . 0.0 109.847 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.23 -41.82 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.925 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.64 -40.92 80.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.138 -0.977 . . . . 0.0 109.36 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 m -70.19 -36.75 74.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.025 -1.047 . . . . 0.0 109.756 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.22 82.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.11 -32.78 74.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.464 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.57 -51.4 65.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.968 . . . . 0.0 109.735 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.06 -37.81 88.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.721 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -57.97 -39.55 78.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 0.0 109.619 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.915 . . . . 0.0 109.551 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.84 -47.98 81.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.252 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.34 -38.75 84.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.06 -49.28 80.15 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.9 -55.05 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -1.199 . . . . 0.0 109.953 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.06 -41.82 88.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.148 -0.97 . . . . 0.0 109.572 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.51 -55.17 30.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.169 -0.957 . . . . 0.0 109.596 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.58 -41.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 109.156 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -55.11 -43.57 74.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.231 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.93 93.35 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.49 -46.92 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -1.188 . . . . 0.0 109.847 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.71 -38.33 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.131 -0.981 . . . . 0.0 110.009 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.12 -43.3 78.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.993 -1.067 . . . . 0.0 108.863 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 -38.86 90.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.01 . . . . 0.0 109.427 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.21 66.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.435 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.01 -33.33 75.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -50.94 70.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.062 -1.024 . . . . 0.0 109.44 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.4 -38.74 90.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -55.54 -40.26 71.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 109.114 179.518 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 89.6 m-20 -60.01 -38.8 83.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.57 -49.68 71.3 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.24 -52.29 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -1.207 . . . . 0.0 109.655 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.41 -38.76 85.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.162 -0.961 . . . . 0.0 109.459 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.8 -54.35 32.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.963 -1.085 . . . . 0.0 109.204 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.03 -35.15 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.942 . . . . 0.0 109.036 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -59.58 -41.27 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.428 -0.795 . . . . 0.0 109.394 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.5 -38.52 90.79 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.34 -45.11 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.138 -1.213 . . . . 0.0 109.93 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.6 mt -65.6 -42.77 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.02 . . . . 0.0 109.787 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.93 -45.44 81.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.021 -1.049 . . . . 0.0 108.83 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -60.05 -39.3 85.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.284 -0.885 . . . . 0.0 109.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.47 64.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.158 -0.964 . . . . 0.0 109.802 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.09 -34.56 75.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.5 -49.58 72.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.087 -1.008 . . . . 0.0 109.765 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.47 -39.58 88.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.016 -1.053 . . . . 0.0 110.048 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -55.15 -40.55 70.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.097 -1.002 . . . . 0.0 109.644 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.62 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 5' ' ' LEU . 4.0 mm? -65.59 -42.33 91.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 82.2 m-20 -64.92 -37.18 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.958 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.27 53.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.54 -54.46 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -1.177 . . . . 0.0 109.803 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 mt -57.69 -41.33 81.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.062 -1.024 . . . . 0.0 109.705 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.52 -52.48 61.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.074 -1.016 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.12 -40.25 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.133 -0.979 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -56.95 -42.44 80.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 109.354 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.62 -39.72 98.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.45 -48.46 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.288 -1.125 . . . . 0.0 110.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.22 -39.61 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.827 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.64 -39.37 73.7 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.091 -1.006 . . . . 0.0 109.397 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -66.93 -38.76 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 109.818 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.78 80.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 109.811 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.83 -35.26 77.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.89 -50.64 67.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.062 -1.024 . . . . 0.0 109.356 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.74 -39.72 94.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.16 -42.24 76.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.957 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.22 -0.925 . . . . 0.0 109.19 179.61 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 44.7 p30 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.305 0.574 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.2 m -56.23 154.58 7.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -84.65 13.65 5.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.37 -39.07 78.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.284 -0.885 . . . . 0.0 109.469 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.43 -36.56 69.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.127 -0.983 . . . . 0.0 109.528 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -59.71 -26.78 65.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.3 tp -76.17 -41.34 50.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 0.0 109.57 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.3 mm? -62.03 -48.24 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 109.308 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.85 -36.7 81.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.126 -0.984 . . . . 0.0 109.546 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.53 -52.38 53.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.89 -53.07 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -1.177 . . . . 0.0 109.96 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.81 -44.12 86.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 0.0 109.637 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.23 -56.25 20.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.6 -38.28 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.125 -0.984 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.1 t80 -59.97 -41.5 92.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.411 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.87 -40.31 99.1 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.2 -47.77 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -1.12 . . . . 0.0 109.981 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 88.0 mt -65.84 -42.52 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.952 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.72 -40.27 88.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.183 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -66.22 -38.05 87.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.16 -0.962 . . . . 0.0 109.626 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.22 -0.925 . . . . 0.0 109.71 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.62 -36.33 80.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.547 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.5 -51.81 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.054 -1.028 . . . . 0.0 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.64 -40.03 94.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.435 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' A' ' 22' ' ' ARG . 21.8 ttm-85 -56.81 -43.69 81.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.461 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -74.04 -33.07 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 109.6 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.12 -40.59 67.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.546 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.47 125.24 43.59 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.291 -0.881 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -64.21 -35.16 79.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 109.394 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.15 -34.95 66.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.34 -0.85 . . . . 0.0 109.439 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 t 51.26 23.28 1.61 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.54 71.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.444 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.457 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 58.6 p -148.49 157.37 43.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.314 -0.866 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 50.33 27.28 2.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.63 -41.1 85.19 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 0.0 109.152 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 41.3 t -61.5 -32.15 72.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 0.0 109.434 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -58.64 -30.16 67.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.237 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.87 -43.24 68.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -64.44 -46.89 81.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 0.0 109.398 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.12 -36.41 81.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.267 -0.896 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.99 -50.79 63.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.006 -1.238 . . . . 0.0 110.006 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.82 -52.64 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -1.227 . . . . 0.0 109.995 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.046 -1.034 . . . . 0.0 109.76 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -61.94 -53.28 57.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.0 109.741 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.73 -36.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.42 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.9 -41.15 95.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -38.73 94.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.34 -46.03 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -1.172 . . . . 0.0 110.114 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 99.6 mt -64.04 -37.71 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.087 -1.008 . . . . 0.0 110.024 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.19 -46.63 60.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.116 -0.99 . . . . 0.0 108.912 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -58.55 -39.79 81.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.748 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.31 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.177 -0.952 . . . . 0.0 109.722 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.44 -30.95 71.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 109.55 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -66.79 -51.53 54.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 0.0 109.736 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt -63.13 -38.11 89.9 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 109.827 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.08 -42.93 81.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.049 -1.032 . . . . 0.0 109.406 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.81 -35.67 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.929 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.88 -43.49 98.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.203 -0.935 . . . . 0.0 109.34 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -94.51 128.07 40.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.208 -0.933 . . . . 0.0 109.025 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 38.5 p -67.87 159.27 30.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -63.86 142.41 58.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.319 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -59.65 165.78 2.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.607 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.59 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . -62.36 148.83 44.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.506 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.59 ' OXT' ' O ' ' B' ' 29' ' ' ALA . 68.0 m-20 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.727 ' HB2' ' OD1' ' B' ' -3' ' ' ASP . 84.7 m-20 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 55.1 m 50.99 90.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.178 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.19 9.8 2.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.313 -0.867 . . . . 0.0 109.434 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.57 -36.46 78.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.0 t -56.47 -33.62 66.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.235 -0.915 . . . . 0.0 109.431 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.2 -25.69 67.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.226 -0.921 . . . . 0.0 109.439 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp -74.38 -42.36 59.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.672 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp -61.03 -46.55 90.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.054 -1.029 . . . . 0.0 109.422 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.77 -37.48 84.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.732 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.85 88.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.51 -52.53 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.152 -1.204 . . . . 0.0 109.975 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.06 -40.84 98.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.144 -0.973 . . . . 0.0 109.787 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.49 -54.43 36.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.65 -36.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.185 -0.947 . . . . 0.0 109.283 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -62.13 -41.4 98.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.61 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.19 95.34 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.44 -47.34 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -1.148 . . . . 0.0 110.146 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.28 -38.53 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.994 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.27 -39.53 68.31 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 0.0 109.499 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 m -67.07 -40.24 86.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.067 -1.02 . . . . 0.0 109.945 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.86 83.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 0.0 109.897 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.47 -33.05 74.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.0 109.655 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -65.73 -50.65 64.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -0.975 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.17 -40.68 98.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.95 . . . . 0.0 109.813 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -54.3 -40.25 67.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.069 -1.019 . . . . 0.0 109.439 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.59 -32.28 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.406 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -55.75 -31.68 62.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.391 -0.818 . . . . 0.0 109.752 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.6 151.69 21.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.304 -0.872 . . . . 0.0 109.546 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.1 p -158.0 165.72 34.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -0.906 . . . . 0.0 109.584 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -78.32 149.32 33.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.277 -0.889 . . . . 0.0 109.385 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 m -61.01 -31.15 70.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.243 -0.911 . . . . 0.0 109.43 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.53 146.01 26.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 109.51 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.501 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . 0.727 ' OD1' ' HB2' ' A' ' -3' ' ' ASP . 12.0 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 87.9 p -153.12 165.63 35.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.338 -0.851 . . . . 0.0 109.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -85.94 9.33 17.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.165 -0.959 . . . . 0.0 109.928 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.12 -36.49 84.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.981 -1.075 . . . . 0.0 108.993 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 9.9 t -55.21 -28.03 50.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.345 -0.847 . . . . 0.0 109.492 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -60.61 -25.73 66.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.176 -0.952 . . . . 0.0 109.49 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.8 -41.96 77.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.36 -45.73 86.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -61.48 -37.0 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.281 -0.887 . . . . 0.0 109.292 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.42 -52.99 49.91 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.64 -50.66 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -1.207 . . . . 0.0 109.35 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.62 -39.28 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.086 -1.009 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.22 -55.49 21.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.46 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -54.38 -38.59 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 109.095 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 85.4 t80 -56.7 -44.32 81.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.354 -0.841 . . . . 0.0 109.148 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.18 -39.63 97.28 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.68 -46.96 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.132 -1.216 . . . . 0.0 109.88 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.65 -37.01 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.159 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.58 -46.28 59.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.063 -1.023 . . . . 0.0 109.215 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -58.14 -38.78 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 0.0 109.796 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.24 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.227 -0.921 . . . . 0.0 110.11 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.67 -33.21 75.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.105 -0.997 . . . . 0.0 109.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -64.37 -49.42 71.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.0 109.575 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.57 -40.48 89.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 0.0 109.833 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.49 -39.5 70.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.97 -1.081 . . . . 0.0 109.337 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.24 -31.62 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.436 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -56.06 -44.92 79.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.548 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -77.39 -27.48 52.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.652 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' B' ' 26' ' ' SER . 24.1 p 54.34 97.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 109.423 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -59.86 -33.99 72.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.211 -0.931 . . . . 0.0 109.538 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.0 m -59.77 -41.17 90.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.255 -0.903 . . . . 0.0 109.886 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.19 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 0.0 109.566 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 53.9 t0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.469 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 90.1 p -161.02 153.36 20.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -91.97 18.38 7.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.452 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.86 -39.43 83.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t -56.56 -45.02 81.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 109.57 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.76 -24.69 65.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.68 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.38 -40.98 98.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 109.483 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -64.62 -45.03 88.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.979 . . . . 0.0 109.037 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 87.2 m-20 -59.17 -39.66 83.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.453 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -50.06 66.6 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.841 -1.303 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.8 -46.15 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -1.185 . . . . 0.0 109.751 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 mt -62.17 -43.11 99.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.082 -1.011 . . . . 0.0 109.607 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -61.7 -53.4 56.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.541 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.98 -37.53 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.244 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.34 -42.17 86.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.365 -0.835 . . . . 0.0 109.431 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.96 -40.74 93.48 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.68 -44.58 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.051 -1.264 . . . . 0.0 109.955 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.94 -42.51 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.066 -1.021 . . . . 0.0 110.004 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.79 -44.71 84.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.071 -1.018 . . . . 0.0 108.659 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 m -60.31 -39.92 88.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.78 83.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -66.36 -30.81 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 109.643 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -67.87 -51.36 49.05 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.056 -1.027 . . . . 0.0 109.875 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.35 -36.46 82.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.048 -1.032 . . . . 0.0 110.082 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -57.6 -42.34 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.016 -1.052 . . . . 0.0 109.667 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.17 -33.0 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.471 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.31 -33.83 54.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 109.579 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 1.272 ' HD1' ' OXT' ' A' ' 30' ' ' ASP . 88.6 m-85 -89.48 7.17 37.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.13 -0.981 . . . . 0.0 109.765 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 t -58.51 -32.56 68.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.93 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -57.6 -41.39 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 109.858 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.97 ' OG ' ' OD1' ' A' ' 30' ' ' ASP . 60.1 p -164.04 -179.16 6.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.505 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.15 75.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.186 -0.947 . . . . 0.0 109.67 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.272 ' OXT' ' HD1' ' A' ' 25' ' ' PHE . 41.0 p-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.607 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 22.0 m -70.56 -27.74 64.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.551 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -81.0 16.34 1.52 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.312 -0.868 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.1 tp -52.99 -38.38 62.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 t -59.91 -43.73 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.703 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -58.77 -27.12 64.69 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.342 -0.849 . . . . 0.0 109.657 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 tp -62.03 -37.24 84.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.953 . . . . 0.0 109.519 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -63.42 -43.93 96.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 87.8 m-20 -62.21 -40.48 96.23 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 109.664 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.94 -48.85 84.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 82.4 mt -67.6 -47.7 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.24 -1.153 . . . . 0.0 109.931 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.09 -40.61 90.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.06 -1.025 . . . . 0.0 109.821 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.02 -53.74 53.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.171 -0.956 . . . . 0.0 109.778 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.12 -38.34 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.195 -0.941 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.514 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 73.9 t80 -60.48 -40.71 92.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.21 -0.931 . . . . 0.0 109.4 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.69 99.69 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.77 -44.78 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.252 -1.146 . . . . 0.0 110.006 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.78 -38.7 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.931 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.8 -39.28 73.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.072 -1.017 . . . . 0.0 109.095 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -68.64 -39.61 80.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.15 74.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 109.657 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.8 -32.35 72.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.988 . . . . 0.0 109.358 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -66.16 -50.5 63.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.27 -40.56 96.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.904 . . . . 0.0 109.298 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -51.8 -39.36 58.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.6 t -73.51 -29.76 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -57.29 -39.54 75.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 109.485 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -92.92 125.71 37.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 72.2 p -73.76 -22.68 59.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.208 -0.932 . . . . 0.0 109.442 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 51.85 -99.64 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.365 -0.834 . . . . 0.0 109.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.8 p -63.89 166.26 7.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.258 -0.901 . . . . 0.0 109.804 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.83 154.07 34.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.374 -0.829 . . . . 0.0 109.262 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 47.2 t0 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.468 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.5 m 49.89 29.29 3.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 52.45 51.25 16.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.282 -0.886 . . . . 0.0 109.595 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.2 -40.55 90.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 t -56.56 -38.93 72.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.64 -22.98 9.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 109.575 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.42 -39.17 91.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.533 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.4 mp -64.74 -43.64 92.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.13 -0.981 . . . . 0.0 109.236 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.8 m-20 -63.38 -39.08 93.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.258 -0.901 . . . . 0.0 109.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.38 -52.56 52.0 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.62 -52.99 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.229 -1.159 . . . . 0.0 109.985 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.9 mt -58.91 -43.09 91.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.801 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.76 -56.53 16.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -53.22 -38.39 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.199 -0.938 . . . . 0.0 109.256 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.448 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 80.1 t80 -61.12 -40.27 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 109.571 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.65 -41.33 99.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.72 -47.48 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -1.174 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -38.91 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.978 . . . . 0.0 110.15 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -71.2 -42.77 68.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.949 -1.095 . . . . 0.0 109.364 -179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -64.61 -39.09 93.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.723 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.66 79.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.0 109.754 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.7 -32.84 74.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.548 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.21 -51.29 59.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.17 -0.956 . . . . 0.0 109.542 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.05 -39.26 94.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -57.52 -42.58 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.564 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.06 -36.42 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -57.49 -42.31 82.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.372 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -84.82 -86.87 0.12 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.349 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -152.0 150.35 29.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.333 -0.854 . . . . 0.0 109.257 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -60.7 -36.79 79.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.411 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -92.6 147.64 22.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.844 . . . . 0.0 109.582 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' O ' ' OXT' ' A' ' 30' ' ' ASP . . . -159.32 152.48 22.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 0.0 109.402 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OXT' ' O ' ' A' ' 29' ' ' ALA . 14.5 p30 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.52 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 54.4 m -73.59 167.25 21.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.39 -0.819 . . . . 0.0 109.679 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 53.64 31.93 13.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.364 -0.835 . . . . 0.0 109.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.08 -40.33 94.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.323 -0.861 . . . . 0.0 109.147 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.94 -34.38 73.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.253 -0.904 . . . . 0.0 109.332 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.72 -25.03 66.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.74 -39.68 91.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 109.187 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.5 mp -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 108.992 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.5 m-20 -63.08 -37.53 87.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.0 109.51 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -50.49 66.96 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -48.8 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.143 -1.21 . . . . 0.0 109.565 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.2 -41.38 99.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.104 -0.997 . . . . 0.0 109.409 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.32 -56.32 19.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.58 -40.92 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 0.0 108.96 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.88 -42.1 83.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.347 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -39.48 95.24 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.79 -50.22 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -1.183 . . . . 0.0 110.197 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.75 -42.07 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.16 -44.86 82.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.054 -1.029 . . . . 0.0 108.929 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m -60.68 -40.01 90.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.91 71.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.752 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.44 -33.01 74.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 109.48 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.43 -51.22 59.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.068 -1.02 . . . . 0.0 109.669 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.94 -39.68 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.972 . . . . 0.0 109.615 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.527 ' O ' ' NE ' ' B' ' 22' ' ' ARG . 8.7 tpm_? -57.42 -34.06 68.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -86.27 -30.25 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.104 -0.997 . . . . 0.0 109.602 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -53.01 -38.0 61.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.04 131.04 45.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.937 . . . . 0.0 109.263 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -148.16 160.42 42.94 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.271 -0.893 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -157.08 166.94 31.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.174 -0.954 . . . . 0.0 109.565 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -52.09 -32.4 34.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.0 109.471 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.42 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . 51.36 -98.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.291 -0.881 . . . . 0.0 109.48 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 58.1 p30 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.468 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' -1' ' ' LYS . 97.6 m-20 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.243 0.544 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.1 m 48.34 19.13 0.2 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 109.514 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' -3' ' ' ASP . 67.3 mttm 52.03 45.72 27.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.885 . . . . 0.0 109.466 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.89 -40.19 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.45 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.16 -38.8 18.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.127 -0.983 . . . . 0.0 109.436 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.36 -28.23 68.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.265 -0.897 . . . . 0.0 109.594 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.3 tp -65.78 -39.5 91.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.2 mp -58.94 -41.59 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.167 -0.958 . . . . 0.0 108.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 94.6 m-20 -63.32 -39.0 93.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 0.0 109.65 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 -51.7 57.12 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.04 -50.29 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.199 -1.177 . . . . 0.0 109.62 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.75 -41.52 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.737 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.56 -55.27 25.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.674 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.47 -38.51 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.198 -0.939 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 82.3 t80 -59.99 -42.52 94.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 0.0 109.2 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.19 -40.3 98.8 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.92 -43.85 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -1.12 . . . . 0.0 109.78 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.3 mt -72.27 -39.95 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.134 -0.978 . . . . 0.0 110.239 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.79 -39.17 80.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.23 -179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 m -69.31 -40.32 77.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.074 -1.016 . . . . 0.0 109.793 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.09 86.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.056 -1.027 . . . . 0.0 109.711 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.53 -34.37 77.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.157 -0.964 . . . . 0.0 109.44 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -64.64 -52.8 55.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.097 -1.002 . . . . 0.0 109.646 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -41.19 91.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.448 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -54.43 -40.21 68.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.932 . . . . 0.0 109.223 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.69 -37.8 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.376 -0.827 . . . . 0.0 109.644 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -55.77 -39.91 71.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.181 -0.95 . . . . 0.0 109.13 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -163.75 166.83 21.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.677 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -157.05 -21.73 0.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.0 109.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -54.33 -41.87 69.52 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.28 -0.887 . . . . 0.0 109.049 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -64.79 -34.96 79.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.23 142.88 9.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.454 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.256 -179.75 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' -2' ' ' SER . 38.8 p30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . 0.513 ' N ' ' OD1' ' B' ' -3' ' ' ASP . 12.3 m -56.54 -34.61 67.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.963 . . . . 0.0 109.483 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.11 25.16 2.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.757 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 tp -55.94 -41.09 74.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.202 -0.937 . . . . 0.0 109.06 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 43.3 t -57.69 -34.07 69.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.229 -0.919 . . . . 0.0 109.278 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.73 -23.94 60.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.358 -0.839 . . . . 0.0 109.37 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.85 -40.27 91.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 0.0 109.288 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -61.25 -46.18 91.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.898 . . . . 0.0 109.216 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 92.7 m-20 -59.54 -38.08 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.204 -0.935 . . . . 0.0 109.534 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.39 -51.55 57.24 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.43 -56.85 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.156 -1.202 . . . . 0.0 109.825 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.23 -43.03 74.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.551 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.81 -55.04 37.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.179 -0.95 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.83 -38.11 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.941 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -58.24 -42.5 86.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.567 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.22 92.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.06 -45.09 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -1.149 . . . . 0.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.11 -33.14 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.162 -0.961 . . . . 0.0 110.114 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.57 -46.02 41.54 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.164 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -60.51 -39.35 87.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 110.026 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.97 87.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.813 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -67.59 -33.5 75.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.138 -0.976 . . . . 0.0 109.855 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.58 -51.74 64.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.947 -1.096 . . . . 0.0 109.767 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.79 -38.38 88.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.012 -1.055 . . . . 0.0 109.698 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -56.62 -44.87 81.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.179 -0.951 . . . . 0.0 109.481 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.76 -31.94 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.376 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.42 -44.96 85.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 0.0 109.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -157.07 161.0 39.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.135 -0.978 . . . . 0.0 109.81 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 86.6 p -156.8 161.97 39.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.341 -0.849 . . . . 0.0 109.353 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.62 -31.49 72.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.956 . . . . 0.0 109.705 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.9 m -53.32 143.29 19.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.503 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.28 155.45 30.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.507 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 p30 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.534 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.328 0.585 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.0 m 53.11 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.242 -0.911 . . . . 0.0 109.468 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.84 14.82 5.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 0.0 109.589 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.16 -35.92 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.377 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -56.38 -35.37 67.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.205 -0.934 . . . . 0.0 109.612 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -60.5 -31.42 70.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.943 . . . . 0.0 109.702 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.35 -37.0 85.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.174 -0.954 . . . . 0.0 109.592 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.135 -0.978 . . . . 0.0 109.534 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 88.1 m-20 -61.85 -39.16 90.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 0.0 109.687 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -50.96 61.87 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.83 -44.94 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.187 -1.184 . . . . 0.0 109.569 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.3 mt -68.24 -40.66 81.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.145 -0.972 . . . . 0.0 109.327 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.8 -55.86 19.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.495 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.87 -39.3 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.173 -0.954 . . . . 0.0 109.106 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.39 -40.88 83.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.685 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.44 -37.7 90.36 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.32 -45.9 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -1.192 . . . . 0.0 110.193 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.28 -40.76 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.012 -1.055 . . . . 0.0 110.003 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -67.01 -45.33 77.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.076 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.1 m -59.84 -40.33 88.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 109.871 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.5 69.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.941 . . . . 0.0 109.649 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.05 -33.3 75.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.175 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -65.11 -50.57 65.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.183 -0.948 . . . . 0.0 109.372 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.9 -46.24 88.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.232 -0.917 . . . . 0.0 109.611 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -52.82 -39.0 62.08 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.281 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.87 -35.94 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.533 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -54.78 -50.81 67.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.366 -0.834 . . . . 0.0 109.457 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -86.24 122.91 30.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 0.0 109.656 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -71.48 -19.53 62.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.373 -0.829 . . . . 0.0 109.71 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -50.72 -34.14 25.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.134 -0.979 . . . . 0.0 109.251 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 m -71.86 138.92 48.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.22 -0.925 . . . . 0.0 109.256 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.64 122.2 29.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.545 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 50.1 p-10 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.42 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 42.5 p30 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.222 0.534 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 64.2 m -70.27 159.58 33.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.115 -0.99 . . . . 0.0 109.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -79.82 9.33 5.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.236 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.38 -32.95 71.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.6 -36.61 64.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 0.0 109.543 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -56.36 -27.37 55.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.9 . . . . 0.0 109.552 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.0 -37.3 87.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.608 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.493 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.2 mp -62.57 -46.95 86.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.968 . . . . 0.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.411 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 73.1 m-20 -61.11 -36.94 81.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 0.0 109.685 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.29 66.92 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.93 -48.48 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.241 . . . . 0.0 109.819 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.34 -41.95 98.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.136 -0.978 . . . . 0.0 109.653 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.52 -53.83 51.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 109.646 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.63 -39.38 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.0 109.222 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.39 -41.29 93.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.29 99.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.794 -1.323 . . . . 0.0 109.794 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.57 -46.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -1.159 . . . . 0.0 109.824 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.54 -34.98 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.163 -0.961 . . . . 0.0 110.104 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.98 -41.44 59.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 0.0 109.4 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -66.33 -38.4 87.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.71 76.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.207 -0.933 . . . . 0.0 109.781 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.97 -33.66 75.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.141 -0.974 . . . . 0.0 109.516 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.48 -50.23 64.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.61 -42.65 86.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.108 -0.995 . . . . 0.0 110.049 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.815 ' HG3' ' HB2' ' B' ' 28' ' ' SER . 65.0 ttt180 -54.78 -41.27 70.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 109.627 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.6 -35.05 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.155 -0.966 . . . . 0.0 109.384 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.21 -41.12 92.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.133 -0.98 . . . . 0.0 109.338 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -95.73 124.15 39.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.35 -0.844 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -73.19 -16.75 61.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.519 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -58.67 -36.59 74.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -0.961 . . . . 0.0 109.376 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.815 ' HB2' ' HG3' ' B' ' 22' ' ' ARG . 72.0 p -63.4 -37.95 89.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 109.255 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.2 -42.49 37.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.292 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.597 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 7.6 t70 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.473 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' -2' ' ' SER . 58.7 t0 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.463 ' N ' ' OD1' ' A' ' -3' ' ' ASP . 16.8 m -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -80.8 10.29 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.225 -0.922 . . . . 0.0 109.647 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 57.3 tp -52.81 -40.52 63.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OD2' ' A' ' 6' ' ' ASP . 10.3 t -60.94 -25.47 66.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.546 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.85 -25.98 66.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.284 -0.885 . . . . 0.0 109.61 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.2 tp -77.91 -48.68 15.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 109.897 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -65.32 -47.19 77.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 109.353 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.455 ' OD2' ' SG ' ' A' ' 2' ' ' CYS . 76.8 m-20 -61.05 -38.13 85.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 0.0 109.332 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.45 52.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.8 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -1.234 . . . . 0.0 109.937 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -57.97 -43.46 86.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.034 -1.041 . . . . 0.0 109.395 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.02 -55.52 31.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 109.492 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -55.43 -38.66 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.148 -0.97 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.25 -39.04 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 0.0 109.637 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.72 -40.63 97.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.55 -44.17 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -1.152 . . . . 0.0 110.084 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.06 -36.49 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.149 -0.969 . . . . 0.0 110.455 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -72.1 -44.48 63.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.153 . . . . 0.0 109.432 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.2 m -67.07 -37.01 83.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 109.876 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.42 86.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.24 -0.912 . . . . 0.0 109.957 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.69 -31.69 72.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -66.54 -50.2 63.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.986 -1.071 . . . . 0.0 109.394 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.26 -39.93 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -56.66 -40.97 76.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.107 -0.996 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.56 -30.66 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.0 109.247 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -57.69 -36.84 72.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.168 -0.958 . . . . 0.0 109.391 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -96.2 149.9 21.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -156.27 -45.8 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 0.0 109.535 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -61.51 -38.43 87.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.283 -0.885 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.6 p 47.64 29.18 1.41 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 0.0 109.781 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.21 77.35 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.429 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.616 179.764 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.0 m -59.17 140.07 56.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 49.36 41.88 21.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.121 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 45.5 tp -54.6 -41.3 69.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.428 -0.795 . . . . 0.0 109.68 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.7 t -53.65 -38.04 63.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 109.623 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -56.98 -30.74 64.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tp -74.1 -44.83 52.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.323 -0.861 . . . . 0.0 109.422 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -55.42 -47.7 75.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.188 -0.945 . . . . 0.0 109.114 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.65 -35.76 80.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.2 -52.84 50.94 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.06 -53.31 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -1.205 . . . . 0.0 109.678 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.32 -43.39 88.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.491 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.18 -54.67 30.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.139 -0.976 . . . . 0.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.46 -39.36 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 109.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.26 -40.93 87.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.358 -0.839 . . . . 0.0 109.535 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.44 81.38 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.9 -46.09 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.237 . . . . 0.0 109.907 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.82 -42.43 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 109.966 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.28 -45.03 86.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.068 -1.02 . . . . 0.0 108.973 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -61.41 -41.06 96.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 0.0 110.075 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.26 -51.63 68.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.059 -1.026 . . . . 0.0 109.48 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.5 -31.92 73.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -64.21 -50.55 67.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.016 -1.053 . . . . 0.0 109.461 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.24 -37.29 86.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 109.562 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.413 ' HE ' ' HB2' ' B' ' 29' ' ' ALA . 40.4 ttm180 -55.45 -38.53 69.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.108 -0.995 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -73.56 -32.63 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.366 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -61.77 -42.37 98.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 0.0 109.45 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.82 127.74 43.09 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 109.393 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t -57.5 -35.06 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.239 -0.913 . . . . 0.0 109.418 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.27 146.38 54.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.315 -0.866 . . . . 0.0 109.459 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -69.97 152.82 44.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.146 -0.971 . . . . 0.0 109.3 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.563 ' O ' ' OXT' ' B' ' 30' ' ' ASP . . . -57.85 119.65 7.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.25 -0.906 . . . . 0.0 109.138 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.563 ' OXT' ' O ' ' B' ' 29' ' ' ALA . 19.3 m-20 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.518 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 42.7 p30 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.298 0.57 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 1' ' ' LEU . 14.3 m -59.25 -32.13 69.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.243 -0.911 . . . . 0.0 109.783 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -69.68 10.47 0.37 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.4 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' A' ' -2' ' ' SER . 41.8 tp -62.64 -38.48 90.42 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 109.843 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 t -57.66 -34.31 69.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.907 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -57.86 -33.02 68.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.633 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.58 -39.51 80.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.257 -0.902 . . . . 0.0 109.672 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp -62.49 -47.59 83.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.428 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -63.34 -38.61 91.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.916 . . . . 0.0 109.719 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.34 -49.67 74.02 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -64.53 -55.55 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.236 -1.155 . . . . 0.0 109.809 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 mt -59.24 -40.97 87.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.932 . . . . 0.0 109.608 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -58.22 7.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.862 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -36.72 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.51 -41.61 94.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.85 . . . . 0.0 109.653 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -41.0 92.38 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.07 -47.86 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -1.16 . . . . 0.0 110.122 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.34 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.963 . . . . 0.0 110.022 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.41 -46.68 79.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.368 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -59.88 -40.71 89.64 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 110.105 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.36 77.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.104 -0.997 . . . . 0.0 109.674 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.02 -33.21 75.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.29 -53.03 59.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 0.0 109.61 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.91 -37.65 88.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.692 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.65 -41.42 70.08 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 0.0 109.473 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.26 -31.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -56.96 -34.2 67.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.184 -0.948 . . . . 0.0 109.436 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.14 123.1 34.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.23 -0.919 . . . . 0.0 109.273 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -61.43 -43.2 99.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.283 -0.886 . . . . 0.0 109.622 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -58.42 -33.75 70.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.221 -0.925 . . . . 0.0 109.42 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 29' ' ' ALA . 34.9 t 48.84 -157.04 0.07 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.914 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.507 ' N ' ' OG ' ' A' ' 28' ' ' SER . . . -59.41 -39.19 82.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 109.511 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.403 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 41.8 p30 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 29.2 t -160.91 145.91 14.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.573 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 50.51 30.8 4.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.05 -36.86 85.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.7 -32.62 65.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 0.0 109.677 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -59.64 -24.67 64.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.092 -1.005 . . . . 0.0 109.335 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 tp -75.3 -45.25 40.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 0.0 109.448 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.49 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.6 mp -61.11 -47.14 87.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.205 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.32 -34.99 77.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.66 44.37 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.23 -51.25 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.166 -1.196 . . . . 0.0 109.918 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.68 -42.71 97.68 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.635 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.26 -53.55 47.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.941 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -55.59 -42.85 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.96 . . . . 0.0 109.529 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -58.94 -38.31 78.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.313 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.83 -43.14 98.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -67.11 -47.47 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.277 -1.131 . . . . 0.0 110.472 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.82 -40.39 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.611 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -68.34 -39.63 81.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.352 -179.577 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.089 -1.007 . . . . 0.0 109.931 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -48.93 79.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.76 -35.24 75.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 109.709 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -64.05 -50.57 67.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.98 -42.4 99.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.196 -0.94 . . . . 0.0 109.578 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -55.11 -39.15 69.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.462 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.81 -27.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.438 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.2 -43.74 78.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.215 -0.928 . . . . 0.0 109.578 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -143.85 144.25 31.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.268 -0.895 . . . . 0.0 109.567 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -95.54 19.99 10.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.331 -0.856 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 53.69 -137.87 1.17 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.1 m 49.68 85.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 109.356 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.06 -35.11 23.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.247 -0.908 . . . . 0.0 109.537 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.573 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 41.3 p30 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 75.3 m -143.57 143.97 31.74 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.223 -0.923 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -78.48 9.16 4.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.173 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.39 -35.57 77.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.139 -0.976 . . . . 0.0 109.288 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.57 -36.45 69.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 0.0 109.452 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.19 -26.51 62.88 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 108.96 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.28 -43.01 61.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.5 mp -65.96 -47.93 72.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.88 83.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.127 -0.983 . . . . 0.0 109.231 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.43 67.08 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.25 -49.09 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 0.0 109.998 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.06 -42.18 97.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.999 -1.063 . . . . 0.0 109.377 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.84 -53.82 44.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.6 mt -54.52 -40.83 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 108.92 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.3 t80 -56.82 -42.67 79.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 0.0 109.275 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.69 95.98 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.95 -45.6 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -1.164 . . . . 0.0 110.198 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.79 -30.96 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 0.0 110.029 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -77.16 -46.33 23.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.001 -1.062 . . . . 0.0 108.896 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.589 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.84 80.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.193 -0.942 . . . . 0.0 109.604 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -68.19 -29.59 68.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.235 -0.916 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.58 -53.05 53.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.113 -0.992 . . . . 0.0 109.613 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.77 -41.09 96.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -53.15 -43.05 66.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.144 -0.972 . . . . 0.0 109.63 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.52 -32.52 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.109 -0.994 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -58.71 -36.86 74.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 0.0 109.571 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -89.18 120.82 30.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.153 -0.967 . . . . 0.0 109.534 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -70.73 -37.16 73.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 109.788 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -57.55 -39.28 76.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.759 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m 49.7 27.99 2.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.156 -0.965 . . . . 0.0 109.441 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.43 77.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.644 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 t0 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.494 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' -2' ' ' SER . 37.5 p-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' B' ' -3' ' ' ASP . 10.7 t -77.41 152.05 34.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.882 . . . . 0.0 109.44 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.53 25.46 2.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 0.0 109.603 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.94 -36.29 82.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 t -50.75 -33.44 23.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.252 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.84 -27.96 69.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.356 -0.84 . . . . 0.0 109.277 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 54.5 tp -72.69 -43.1 63.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.0 mp -62.15 -46.94 86.75 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.186 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.8 -36.38 74.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.196 -0.94 . . . . 0.0 109.285 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.44 -50.76 59.79 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.43 -51.02 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.11 -1.229 . . . . 0.0 110.244 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.04 -42.35 99.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.128 -0.983 . . . . 0.0 109.632 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.81 -55.94 19.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.939 . . . . 0.0 109.579 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.97 -37.71 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.945 . . . . 0.0 109.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.76 -42.0 92.28 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.27 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.76 -40.76 99.62 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.73 -45.13 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.149 . . . . 0.0 110.031 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.15 -35.72 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.958 . . . . 0.0 109.988 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -77.29 -42.52 36.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.0 m -66.69 -37.72 85.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.11 -0.994 . . . . 0.0 109.525 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.07 83.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 109.799 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 23' ' ' VAL . 66.5 mt -64.59 -29.48 70.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -69.83 -51.08 36.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.005 -1.059 . . . . 0.0 110.117 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.69 -41.03 98.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.019 -1.051 . . . . 0.0 109.662 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -56.37 -38.88 72.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 109.121 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t -68.27 -37.86 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.61 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -64.41 -40.91 96.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.131 -0.981 . . . . 0.0 108.756 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 25' ' ' PHE . 36.2 p90 -157.54 162.54 38.82 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -151.48 145.35 25.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.103 -0.998 . . . . 0.0 109.577 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -71.75 -22.55 61.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.296 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -62.15 163.3 8.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.82 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.19 -1.62 0.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.213 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.813 -1.089 . . . . 0.0 109.299 -179.861 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 41.7 t -58.52 -28.9 65.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.212 -0.93 . . . . 0.0 109.411 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.89 14.95 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.31 -0.869 . . . . 0.0 109.549 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 57.6 tp -52.78 -41.88 64.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.219 -0.926 . . . . 0.0 109.229 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.8 t -56.73 -33.01 66.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 109.024 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.55 -27.39 69.14 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.083 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.34 -42.7 65.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.383 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.3 mp -69.55 -44.41 70.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 0.0 109.406 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.42 -38.57 91.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 0.0 109.673 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.38 -49.97 72.78 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.03 -52.56 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -1.206 . . . . 0.0 109.93 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.88 -42.44 97.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.099 -1.001 . . . . 0.0 109.57 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.09 -56.38 17.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 0.0 109.708 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.23 -38.91 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.196 -0.94 . . . . 0.0 109.208 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -58.13 -41.86 84.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.65 96.78 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.56 -45.27 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.305 -1.115 . . . . 0.0 110.099 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -68.86 -42.28 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.144 -0.972 . . . . 0.0 110.013 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -66.36 -37.83 86.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.049 -1.032 . . . . 0.0 109.276 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.9 m -68.57 -40.16 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.123 -0.986 . . . . 0.0 109.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 109.754 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -65.0 -34.97 79.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 109.761 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.8 -48.94 74.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.022 -1.049 . . . . 0.0 109.79 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.89 -36.6 83.85 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' PHE . 40.8 ttp180 -58.07 -44.33 87.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.083 -1.011 . . . . 0.0 109.999 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.13 -31.33 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.048 -1.032 . . . . 0.0 109.645 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.33 -36.92 76.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.656 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' ARG . 38.3 p90 -155.64 161.95 40.7 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.164 -0.96 . . . . 0.0 109.571 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.9 p -157.18 160.44 38.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -72.09 132.35 44.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -60.23 159.23 10.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.853 . . . . 0.0 109.443 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.462 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 16.6 m -59.06 -41.01 86.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 51.69 43.72 29.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.0 -41.03 77.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.259 -0.9 . . . . 0.0 109.441 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 47.6 t -57.51 -35.81 70.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 109.482 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.66 -28.11 68.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.413 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -74.46 -41.67 60.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 0.0 109.294 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -64.73 -46.63 81.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.08 -39.15 93.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 109.986 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.62 64.56 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.68 -53.21 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.104 -1.233 . . . . 0.0 109.923 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.46 -43.29 93.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.019 -1.051 . . . . 0.0 109.521 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.55 -53.14 60.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.224 -0.923 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.6 -38.06 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 109.258 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 70.7 t80 -58.03 -42.93 86.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.327 -0.858 . . . . 0.0 109.506 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.9 95.44 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.93 -47.07 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.141 -1.211 . . . . 0.0 110.058 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.15 -43.58 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.129 -0.982 . . . . 0.0 109.83 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.588 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.04 -43.7 94.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.047 -1.033 . . . . 0.0 108.666 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -60.2 -39.21 85.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 109.788 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.76 -49.56 75.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.947 . . . . 0.0 109.839 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -65.49 -31.58 72.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.197 -0.939 . . . . 0.0 109.529 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.32 -50.99 63.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.833 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.07 -36.42 84.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.103 -0.998 . . . . 0.0 109.942 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -53.39 -40.51 65.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.09 -1.006 . . . . 0.0 109.343 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.23 -37.54 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.171 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -62.79 -30.99 71.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.231 -0.918 . . . . 0.0 109.612 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -98.24 137.6 36.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -149.76 159.48 44.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.852 . . . . 0.0 109.361 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -65.9 136.32 55.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.563 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -80.32 157.67 26.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.845 . . . . 0.0 109.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.51 49.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.408 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.444 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 34.2 t -55.67 -26.35 44.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.51 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -73.56 8.93 1.57 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.34 -0.85 . . . . 0.0 109.527 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.04 -32.25 72.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.05 -1.031 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.58 -37.92 88.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -57.17 -28.83 63.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.63 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -71.37 -46.78 59.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 0.0 109.76 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.4 mm? -58.92 -48.92 79.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.084 -1.01 . . . . 0.0 109.344 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -59.22 -36.91 76.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.093 -1.004 . . . . 0.0 109.715 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.87 62.72 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.33 -52.9 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.253 . . . . 0.0 110.073 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.15 -42.24 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 109.746 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.77 -55.54 22.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.026 -1.046 . . . . 0.0 109.464 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.4 -40.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.069 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -55.6 -43.43 76.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.414 -0.804 . . . . 0.0 109.602 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.16 -37.41 91.38 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.29 -46.89 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.065 -1.256 . . . . 0.0 110.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.01 -36.61 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -0.988 . . . . 0.0 109.894 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -71.96 -43.97 64.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 108.982 -179.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 m -60.81 -38.55 85.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.0 109.656 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.47 64.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.112 -0.992 . . . . 0.0 109.785 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.1 -32.52 73.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -0.926 . . . . 0.0 109.468 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -65.49 -51.1 62.51 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.107 -0.995 . . . . 0.0 109.731 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.68 -41.07 98.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.903 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -55.21 -39.19 69.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.036 -1.04 . . . . 0.0 109.416 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.54 -29.87 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.92 . . . . 0.0 109.462 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -57.91 -39.24 77.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.23 -0.919 . . . . 0.0 109.679 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -151.54 164.08 37.61 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.429 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -154.28 155.08 34.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.176 -0.952 . . . . 0.0 109.572 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -56.37 -32.77 65.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -56.75 -24.57 50.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.654 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.04 69.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.495 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.7 t0 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.033 -0.985 . . . . 0.0 109.437 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' B' ' -3' ' ' ASP . 28.6 p-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.235 0.541 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 58.7 m -63.98 166.96 6.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 0.0 109.534 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -62.04 -5.2 2.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.86 -35.79 58.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.09 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 20.9 t -56.64 -33.5 66.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.268 -0.895 . . . . 0.0 109.202 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.23 -26.97 68.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 44.0 tp -68.49 -45.92 71.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.7 mp -62.7 -45.0 94.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 0.0 109.2 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.42 -36.84 81.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.611 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.31 -51.16 58.49 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.2 -46.64 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.14 -1.212 . . . . 0.0 109.845 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.66 -41.77 95.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -0.993 . . . . 0.0 109.563 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -63.27 -54.08 42.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 0.0 109.466 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.15 -36.58 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.309 -0.869 . . . . 0.0 109.072 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.434 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 66.8 t80 -60.81 -42.44 97.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.405 -0.809 . . . . 0.0 109.37 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.91 96.52 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.75 -46.3 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -1.181 . . . . 0.0 109.935 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.53 -36.31 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.062 -1.024 . . . . 0.0 110.007 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.41 -42.58 58.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 109.389 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -67.17 -38.31 85.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -0.961 . . . . 0.0 109.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.43 85.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.727 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.92 -32.84 74.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -64.82 -51.07 64.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.061 -1.025 . . . . 0.0 109.676 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.43 -38.54 84.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.707 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -54.93 -41.17 70.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t -70.87 -34.66 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.92 -38.68 70.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 0.0 109.575 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -103.11 128.96 49.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.389 -0.819 . . . . 0.0 109.693 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.538 ' O ' ' N ' ' B' ' 28' ' ' SER . 11.7 m -78.26 169.85 17.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.244 -0.91 . . . . 0.0 109.019 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.426 ' HG2' ' H ' ' B' ' 29' ' ' ALA . 65.4 ttt180 56.99 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.666 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.538 ' N ' ' O ' ' B' ' 26' ' ' SER . 27.5 p 46.57 32.0 1.53 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.082 -1.011 . . . . 0.0 109.688 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.426 ' H ' ' HG2' ' B' ' 27' ' ' ARG . . . -68.75 -34.9 76.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.513 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.423 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.8 t -154.18 151.17 28.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.921 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 52.69 48.91 21.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.777 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.5 -39.85 92.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.254 -0.904 . . . . 0.0 109.446 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.7 t -53.46 -33.25 53.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -61.24 -28.82 69.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.167 -0.958 . . . . 0.0 109.414 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.05 -38.89 92.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 0.0 109.235 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp -67.31 -40.42 86.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 80.2 m-20 -61.46 -40.78 95.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.145 -0.972 . . . . 0.0 109.52 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.04 -49.71 69.56 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.25 -47.15 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -1.174 . . . . 0.0 110.015 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.32 -41.67 96.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.714 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -62.87 -54.91 31.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 0.0 109.788 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.61 -40.94 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -58.66 -41.3 85.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.727 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.77 96.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.33 -44.95 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 110.066 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.66 -35.09 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.327 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -74.94 -40.3 60.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.04 . . . . 0.0 109.235 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.2 m -67.18 -39.02 86.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.161 -0.962 . . . . 0.0 109.667 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -49.66 76.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.792 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.83 -32.75 74.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.767 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.67 -50.78 61.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.51 -42.95 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -54.86 -40.59 69.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -75.59 -34.71 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -56.96 -42.66 80.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 109.826 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -65.38 -28.79 69.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.439 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -71.96 -5.72 36.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.308 -0.87 . . . . 0.0 109.736 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.598 HH11 ' CG ' ' A' ' 27' ' ' ARG . 3.2 mtt-85 51.46 -157.97 0.11 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 0.0 109.392 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -148.18 139.67 23.61 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 109.623 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.49 73.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.782 . . . . 0.0 109.457 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.48 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 63.3 m -61.92 153.91 27.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 0.0 109.51 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -84.46 9.98 12.0 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.288 -0.882 . . . . 0.0 109.528 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.1 -37.0 68.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.121 -0.987 . . . . 0.0 109.203 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 37.4 t -56.12 -38.47 70.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.87 . . . . 0.0 109.468 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -54.56 -25.83 28.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.283 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -63.97 -38.67 91.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.258 -0.902 . . . . 0.0 109.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.497 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.07 -42.6 99.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.336 -0.853 . . . . 0.0 108.982 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 94.2 m-20 -63.9 -38.12 89.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 0.0 109.512 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.49 -51.14 60.55 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.96 -54.53 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -1.147 . . . . 0.0 109.572 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.82 -41.67 78.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.436 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.84 -57.62 10.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.167 -0.958 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.81 -41.61 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.201 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 87.5 t80 -56.07 -43.83 78.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.213 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.11 -40.69 95.14 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.31 -46.56 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -1.181 . . . . 0.0 109.779 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 98.2 mt -65.64 -36.33 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.94 . . . . 0.0 109.951 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.43 -45.5 65.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.996 -1.065 . . . . 0.0 109.025 -179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.2 m -61.92 -38.62 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.644 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.74 80.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 109.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 32.9 mt -66.85 -33.99 76.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.459 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -63.38 -52.42 61.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.079 -1.013 . . . . 0.0 109.591 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.59 -36.57 84.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.105 -0.997 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -58.74 -40.39 83.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.164 -0.96 . . . . 0.0 109.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.1 t -73.71 -31.37 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.205 -0.935 . . . . 0.0 109.435 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.52 -40.56 83.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.955 . . . . 0.0 109.437 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -152.76 160.68 43.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.228 -0.92 . . . . 0.0 109.591 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.5 m -154.75 -10.86 0.13 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.276 -0.89 . . . . 0.0 109.195 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.48 136.45 54.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.0 109.268 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t 50.65 73.44 0.28 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.252 -0.905 . . . . 0.0 109.305 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -27.38 66.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.472 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.494 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.1 m -65.8 153.67 41.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.332 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -80.78 9.04 6.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 109.577 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.66 -43.27 80.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 0.0 109.578 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.09 -34.66 75.29 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.973 . . . . 0.0 109.691 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.63 -22.62 57.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.8 tp -76.17 -45.84 31.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.895 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -65.95 -46.23 78.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.19 -0.944 . . . . 0.0 109.463 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 95.1 m-20 -62.15 -37.8 86.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.68 43.88 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.87 -53.96 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.1 -1.236 . . . . 0.0 109.642 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 mt -59.68 -43.17 94.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.491 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -62.98 -54.06 44.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.951 . . . . 0.0 109.714 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.74 -39.48 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.058 -1.026 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.22 -42.4 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.0 109.671 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.58 90.23 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.17 -47.85 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -1.176 . . . . 0.0 110.019 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.04 -43.87 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.063 -1.023 . . . . 0.0 109.952 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -63.15 -43.57 97.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -0.979 . . . . 0.0 108.972 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -60.39 -40.63 91.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 110.003 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.46 73.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.092 -1.005 . . . . 0.0 109.831 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.49 -32.82 74.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 109.697 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.79 -53.19 59.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.04 -1.038 . . . . 0.0 109.63 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.25 -38.7 92.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.139 -0.976 . . . . 0.0 109.539 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.06 -42.21 65.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.0 109.549 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.7 t -75.12 -31.31 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.489 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -58.48 -37.9 76.49 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.836 . . . . 0.0 109.916 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -88.5 134.26 33.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.002 -1.061 . . . . 0.0 109.409 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -77.23 157.17 30.99 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.357 -0.839 . . . . 0.0 109.363 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -141.13 164.59 29.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 29' ' ' ALA . 15.2 t -145.36 142.61 29.53 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.311 -0.868 . . . . 0.0 109.18 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' SER . . . 49.37 -175.59 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.467 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.622 -179.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 54.1 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 38.2 m -61.84 -26.42 68.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 0.0 109.57 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -81.92 11.32 5.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.326 -0.859 . . . . 0.0 109.588 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.45 -37.38 83.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.987 . . . . 0.0 109.839 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -55.56 -37.43 68.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.106 -0.996 . . . . 0.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.49 -28.03 69.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.163 -0.961 . . . . 0.0 109.584 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.84 -43.34 72.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 0.0 109.59 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 5' ' ' LEU . 10.3 mp -66.08 -45.41 81.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.064 -1.023 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 90.7 m-20 -60.89 -38.7 86.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.402 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.13 -52.34 53.89 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.34 -51.06 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 0.0 109.721 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.45 -43.12 99.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.122 -0.986 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.25 -56.4 18.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.191 -0.943 . . . . 0.0 109.426 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -54.67 -40.08 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 108.959 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' B' ' 16' ' ' LEU . 79.8 t80 -57.43 -40.34 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.95 -41.65 99.67 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -68.3 -43.27 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.233 -1.157 . . . . 0.0 110.163 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 75.4 mt -70.12 -38.39 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 109.751 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -71.9 -41.75 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 108.975 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.8 m -66.91 -38.31 85.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 109.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 110.0 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.09 -35.3 76.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.155 -0.966 . . . . 0.0 109.553 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.8 -51.48 61.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.93 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.99 -35.67 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.108 -0.995 . . . . 0.0 110.129 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -56.65 -43.51 80.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.04 -1.037 . . . . 0.0 109.776 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.42 -29.03 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.0 109.822 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -61.12 -54.1 48.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -71.34 -36.21 71.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' ARG . 6.5 t -60.56 -49.56 77.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.962 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' B' ' 26' ' ' SER . 45.9 ttp180 46.35 94.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.267 -0.895 . . . . 0.0 109.736 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -145.4 159.15 43.51 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.3 -0.875 . . . . 0.0 109.383 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.87 144.88 55.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.339 -0.851 . . . . 0.0 109.374 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 1.033 ' OD1' ' O ' ' B' ' 30' ' ' ASP . 2.3 p30 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.117 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 54.2 m -60.04 -31.03 69.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -79.38 8.82 5.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 109.213 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 53.0 tp -70.57 -37.58 74.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.311 -0.868 . . . . 0.0 109.435 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.4 t -56.19 -32.47 64.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.0 109.478 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -59.19 -27.39 65.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.176 -0.952 . . . . 0.0 109.411 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.8 tp -70.97 -41.94 70.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.919 . . . . 0.0 109.281 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp -61.98 -45.19 94.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.211 -0.931 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -63.42 -37.46 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.458 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.16 -51.68 57.36 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.99 -52.45 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -1.228 . . . . 0.0 109.506 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.01 -42.14 98.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.21 -54.49 36.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 0.0 109.68 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -56.17 -39.97 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.173 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.588 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 63.4 t80 -57.15 -40.21 76.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.911 . . . . 0.0 109.384 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.52 98.97 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.59 -43.55 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.15 -1.206 . . . . 0.0 109.847 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.23 -41.82 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.925 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -68.64 -40.92 80.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.138 -0.977 . . . . 0.0 109.36 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 m -70.19 -36.75 74.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.025 -1.047 . . . . 0.0 109.756 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.22 82.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.11 -32.78 74.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.464 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -63.57 -51.4 65.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.968 . . . . 0.0 109.735 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.06 -37.81 88.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.721 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -57.97 -39.55 78.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 0.0 109.619 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.8 t -74.58 -28.66 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.915 . . . . 0.0 109.551 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -51.8 -40.37 60.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 0.0 109.494 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -93.56 123.81 37.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.215 -0.928 . . . . 0.0 109.54 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -80.29 134.78 36.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' SER . 98.8 mtt180 45.75 -116.52 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.269 -0.894 . . . . 0.0 109.771 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.471 ' OG ' ' N ' ' A' ' 29' ' ' ALA . 2.0 t 51.96 176.83 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 109.788 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . . . 57.78 3.79 0.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.649 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 28' ' ' SER . 36.2 p-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.528 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 16.9 p -75.48 155.85 35.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.403 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -69.47 -29.33 66.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.273 -0.892 . . . . 0.0 109.63 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.45 -41.24 98.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.213 -0.93 . . . . 0.0 109.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t -61.52 -35.46 77.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.75 -28.69 68.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.68 -41.87 78.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 5' ' ' LEU . 11.1 mp -62.84 -47.98 81.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.252 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.34 -38.75 84.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.06 -49.28 80.15 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.9 -55.05 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -1.199 . . . . 0.0 109.953 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.06 -41.82 88.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.148 -0.97 . . . . 0.0 109.572 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.51 -55.17 30.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.169 -0.957 . . . . 0.0 109.596 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.58 -41.98 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 109.156 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -55.11 -43.57 74.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.231 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.93 93.35 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.49 -46.92 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -1.188 . . . . 0.0 109.847 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.71 -38.33 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.131 -0.981 . . . . 0.0 110.009 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.12 -43.3 78.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.993 -1.067 . . . . 0.0 108.863 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 -38.86 90.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.083 -1.01 . . . . 0.0 109.427 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.21 66.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.435 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.01 -33.33 75.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -50.94 70.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.062 -1.024 . . . . 0.0 109.44 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.4 -38.74 90.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.217 -0.927 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -55.54 -40.26 71.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.1 -37.21 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 109.114 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.92 -39.09 76.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.19 -0.944 . . . . 0.0 109.315 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -68.59 -32.52 72.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -0.92 . . . . 0.0 109.104 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -61.82 -29.82 70.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 109.518 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -60.77 153.86 23.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.444 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -53.89 -36.42 62.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.223 -0.923 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.85 -118.76 0.99 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.0 109.539 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.489 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.289 0.566 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.12 144.8 25.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 0.0 109.492 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -70.79 -19.11 62.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.313 -0.867 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.79 -44.77 93.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.277 -0.89 . . . . 0.0 109.566 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 t -59.28 -36.38 75.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 109.498 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -61.57 -29.31 69.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.311 -0.868 . . . . 0.0 109.485 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.63 -39.43 94.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.933 . . . . 0.0 109.287 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.6 mp -62.33 -43.77 98.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.22 -0.925 . . . . 0.0 108.849 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' B' ' 6' ' ' ASP . 89.6 m-20 -60.01 -38.8 83.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.57 -49.68 71.3 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.24 -52.29 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -1.207 . . . . 0.0 109.655 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.41 -38.76 85.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.162 -0.961 . . . . 0.0 109.459 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.8 -54.35 32.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.963 -1.085 . . . . 0.0 109.204 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.03 -35.15 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.942 . . . . 0.0 109.036 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -59.58 -41.27 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.428 -0.795 . . . . 0.0 109.394 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.5 -38.52 90.79 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.34 -45.11 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.138 -1.213 . . . . 0.0 109.93 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.6 mt -65.6 -42.77 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.069 -1.02 . . . . 0.0 109.787 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -65.93 -45.44 81.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.021 -1.049 . . . . 0.0 108.83 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -60.05 -39.3 85.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.284 -0.885 . . . . 0.0 109.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.47 64.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.158 -0.964 . . . . 0.0 109.802 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.09 -34.56 75.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.5 -49.58 72.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.087 -1.008 . . . . 0.0 109.765 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.47 -39.58 88.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.016 -1.053 . . . . 0.0 110.048 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -55.15 -40.55 70.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.097 -1.002 . . . . 0.0 109.644 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.12 -30.98 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.62 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.77 -40.62 88.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 0.0 109.629 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.15 -25.36 63.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.637 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -58.56 -36.41 73.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 109.62 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.551 HH11 ' CG ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -56.82 -36.08 69.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.584 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 p 56.78 -175.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.27 -0.894 . . . . 0.0 109.567 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.51 159.14 35.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.505 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 35.0 p30 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' B' ' -1' ' ' LYS . 44.7 t0 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 35.6 t -74.27 16.47 0.25 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' B' ' -3' ' ' ASP . 94.0 mttt -75.96 7.79 3.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.61 -46.34 10.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.064 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.09 -31.46 65.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.77 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.1 -26.1 59.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.575 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 tp -67.07 -37.88 84.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.0 109.424 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 5' ' ' LEU . 4.0 mm? -65.59 -42.33 91.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 6' ' ' ASP . 82.2 m-20 -64.92 -37.18 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.958 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.27 53.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.54 -54.46 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -1.177 . . . . 0.0 109.803 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 mt -57.69 -41.33 81.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.062 -1.024 . . . . 0.0 109.705 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.52 -52.48 61.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.074 -1.016 . . . . 0.0 109.626 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.12 -40.25 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.133 -0.979 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -56.95 -42.44 80.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.929 . . . . 0.0 109.354 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.62 -39.72 98.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.45 -48.46 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.288 -1.125 . . . . 0.0 110.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.22 -39.61 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.827 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -70.64 -39.37 73.7 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.091 -1.006 . . . . 0.0 109.397 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -66.93 -38.76 86.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 109.818 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.78 80.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.179 -0.951 . . . . 0.0 109.811 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.83 -35.26 77.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.89 -50.64 67.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.062 -1.024 . . . . 0.0 109.356 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.74 -39.72 94.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.16 -42.24 76.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.957 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.1 -36.35 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.22 -0.925 . . . . 0.0 109.19 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -57.58 -37.09 72.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -95.12 129.28 42.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -36.8 72.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 109.37 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -161.48 161.25 30.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.292 -0.88 . . . . 0.0 109.514 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 13.6 t -77.8 140.3 39.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.216 -0.927 . . . . 0.0 109.27 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.404 ' O ' ' OD1' ' B' ' 30' ' ' ASP . . . -165.73 135.22 3.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 109.412 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 29' ' ' ALA . 52.9 m-20 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.419 -179.96 . . . . . . . . 1 1 . 1 stop_ save_