data_1wjf_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 1wjf _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 ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.99 139.86 33.2 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.705 0.764 . . . . 0.0 110.725 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.8 m-20 -59.99 -39.28 85.19 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -14.92 0.08 OUTLIER Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' ASP . 36.1 mt -58.47 -35.0 52.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.33 -0.856 . . . . 0.0 109.057 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 108.969 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.97 74.86 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 0.0 109.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -60.1 -39.95 87.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.196 -0.94 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.398 -0.814 . . . . 0.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -93.34 3.86 54.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.178 -0.951 . . . . 0.0 110.449 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -48.95 -41.99 35.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.937 -1.102 . . . . 0.0 109.189 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.3 tt0 -60.06 -39.98 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.208 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.11 -39.98 92.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.775 . . . . 0.0 109.65 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -87.32 -14.49 40.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.002 . . . . 0.0 109.487 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 67.5 m-70 58.08 -134.68 1.05 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 0.0 110.56 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -86.11 -0.14 54.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 110.172 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.77 75.57 6.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.014 -1.054 . . . . 0.0 109.321 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.98 -27.2 64.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.306 -0.871 . . . . 0.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.01 -40.99 91.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.975 . . . . 0.0 109.881 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.9 81.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.428 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.8 ttp -63.54 -40.49 97.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.195 -0.941 . . . . 0.0 109.762 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.55 -40.1 82.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.919 -1.113 . . . . 0.0 109.219 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.7 m -65.21 -40.0 93.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.443 -0.786 . . . . 0.0 110.146 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -68.58 -40.0 80.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.152 -0.968 . . . . 0.0 110.019 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.81 -1.7 45.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.744 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.8 m120 51.03 47.92 24.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.176 -0.952 . . . . 0.0 110.495 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -114.37 151.42 45.09 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.454 -0.779 . . . . 0.0 109.114 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.7 Cg_endo -70.09 149.33 64.61 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.881 1.721 . . . . 0.0 111.535 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.25 -22.89 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.133 1.888 . . . . 0.0 112.526 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -60.02 -53.17 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.001 . . . . 0.0 110.073 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.16 -40.01 57.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.216 -0.927 . . . . 0.0 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.8 68.1 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.1 -1.0 . . . . 0.0 109.358 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.04 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.045 -1.034 . . . . 0.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 16.1 tm-20 -62.12 -40.0 94.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.804 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.02 -40.1 82.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.12 -40.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.14 -19.74 63.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.868 -0.52 . . . . 0.0 110.717 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.4 m -95.3 -35.12 11.92 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.942 -1.099 . . . . 0.0 109.734 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -59.99 133.6 56.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.927 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.07 -27.69 48.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 110.483 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.31 -43.1 34.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.952 -1.093 . . . . 0.0 110.868 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -85.55 1.13 50.3 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -0.984 . . . . 0.0 110.979 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -62.89 -49.98 72.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.908 -1.12 . . . . 0.0 109.576 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.19 -0.944 . . . . 0.0 109.425 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -97.95 139.93 33.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.41 -0.806 . . . . 0.0 110.665 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.0 m-20 -60.04 -39.31 85.47 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.57 -14.89 0.08 OUTLIER Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' B' ' 3' ' ' ASP . 36.3 mt -58.5 -35.0 52.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.96 -40.06 87.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.058 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.97 -39.94 95.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 108.974 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.13 74.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.0 88.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.817 . . . . 0.0 110.355 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -93.37 3.93 54.81 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.094 -1.004 . . . . 0.0 110.454 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.94 -42.14 36.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.87 -1.144 . . . . 0.0 109.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.447 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.423 -0.798 . . . . 0.0 109.252 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.462 -0.774 . . . . 0.0 109.713 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -87.13 -14.6 40.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.077 -1.015 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 67.2 m-70 58.12 -134.57 1.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.404 -0.81 . . . . 0.0 110.585 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -86.14 -0.22 55.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.17 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.76 75.73 6.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.04 . . . . 0.0 109.3 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.99 -27.32 64.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.831 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.91 81.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.194 -0.941 . . . . 0.0 109.436 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.47 -40.41 97.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.61 -40.12 82.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.005 -1.059 . . . . 0.0 109.155 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.1 m -65.17 -40.05 93.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.45 -0.781 . . . . 0.0 110.139 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.61 -39.94 80.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 110.018 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -96.87 -1.7 45.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.0 109.663 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.9 m120 51.04 47.96 23.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.194 -0.942 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -114.42 151.4 45.12 Favored Pre-proline 0 N--CA 1.501 2.081 0 O-C-N 121.412 -0.805 . . . . 0.0 109.106 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.5 Cg_endo -70.1 149.38 64.61 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.874 1.716 . . . . 0.0 111.577 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -41.28 -22.88 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.114 1.876 . . . . 0.0 112.527 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 29' ' ' PRO . 79.6 t -60.08 -53.17 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.098 -1.002 . . . . 0.0 110.076 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.1 -39.93 57.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.262 -0.899 . . . . 0.0 109.889 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.83 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.176 -0.953 . . . . 0.0 109.404 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.12 -39.94 88.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.017 . . . . 0.0 109.591 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 16.1 tm-20 -62.17 -39.99 94.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.357 -0.839 . . . . 0.0 110.756 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.97 -40.06 81.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 107.961 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.08 -40.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 -19.64 63.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.869 -0.519 . . . . 0.0 110.728 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 62.6 m -95.2 -35.19 11.94 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.935 -1.103 . . . . 0.0 109.819 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.3 t -59.97 133.54 56.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.246 -0.908 . . . . 0.0 108.999 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.04 -27.78 48.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 110.477 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -77.21 -43.11 34.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 0.0 110.918 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.57 0.95 51.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.128 -0.982 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.8 -49.97 72.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 109.562 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.449 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -101.17 137.89 38.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.774 . . . . 0.0 110.894 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 5' ' ' ILE . 64.2 t0 -59.96 -38.34 82.19 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.01 -9.6 0.22 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 3' ' ' ASP . 25.6 mt -58.36 -34.38 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -1.109 . . . . 0.0 108.433 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.12 -39.6 86.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.132 -0.98 . . . . 0.0 108.906 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.18 -37.4 80.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.448 -0.783 . . . . 0.0 109.525 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.17 72.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -59.99 -40.09 87.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.021 -1.05 . . . . 0.0 109.72 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.89 -39.95 91.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -95.05 2.37 55.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.131 -0.98 . . . . 0.0 110.525 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.25 -44.19 53.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.904 -1.122 . . . . 0.0 110.174 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.18 -0.95 . . . . 0.0 109.636 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.15 -35.09 77.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 109.762 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -86.88 -12.84 46.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.027 -1.046 . . . . 0.0 109.688 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 58.93 -139.48 0.75 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.18 0.44 51.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.27 -0.894 . . . . 0.0 110.21 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 82.66 6.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -71.52 -23.86 61.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 109.401 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.04 -40.13 88.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.962 . . . . 0.0 110.178 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.76 92.42 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.038 -1.039 . . . . 0.0 108.558 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttm -60.09 -46.15 90.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.8 . . . . 0.0 109.192 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.55 -39.99 85.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.486 -0.759 . . . . 0.0 109.793 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -67.6 -40.02 84.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 110.697 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -98.72 0.62 44.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.281 -0.887 . . . . 0.0 109.277 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ALA . 16.0 m120 52.84 41.46 31.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.774 . . . . 0.0 110.316 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 mt -108.58 151.72 41.78 Favored Pre-proline 0 N--CA 1.501 2.095 0 O-C-N 121.282 -0.886 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.2 152.76 56.45 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.86 1.706 . . . . 0.0 111.734 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -42.49 -23.33 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.236 1.957 . . . . 0.0 112.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.041 -1.037 . . . . 0.0 110.223 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.69 -43.15 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 110.767 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.41 77.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.93 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.34 -40.09 92.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.116 -0.99 . . . . 0.0 109.607 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -61.23 -39.98 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.062 -1.024 . . . . 0.0 108.452 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.69 -40.21 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -63.03 -16.25 59.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.628 -0.67 . . . . 0.0 109.883 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -95.05 -37.61 11.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.094 -1.004 . . . . 0.0 109.81 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.1 133.03 55.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.094 -1.004 . . . . 0.0 108.889 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.34 -28.64 47.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.161 -0.962 . . . . 0.0 109.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.6 64.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 110.457 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.37 2.19 51.1 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.993 -1.067 . . . . 0.0 110.483 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.04 -70.07 0.51 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 109.348 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.3 -1.555 0 O-C-N 121.445 -0.784 . . . . 0.0 109.899 -179.189 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.18 137.92 38.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' B' ' 5' ' ' ILE . 64.2 t0 -59.99 -38.38 82.43 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 -9.58 0.22 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.556 ' H ' ' C ' ' B' ' 3' ' ' ASP . 25.6 mt -58.29 -34.47 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.331 -1.099 . . . . 0.0 108.584 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -59.89 -39.69 86.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 0.0 108.86 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.28 -37.38 80.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.429 -0.794 . . . . 0.0 109.495 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.04 72.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.521 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.985 -1.072 . . . . 0.0 109.724 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.91 -40.07 91.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.283 -0.886 . . . . 0.0 110.443 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -94.94 2.41 55.38 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.094 -1.004 . . . . 0.0 110.682 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.4 -44.06 54.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 110.232 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -0.92 . . . . 0.0 109.644 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.17 -34.92 77.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.704 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -87.05 -12.86 46.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.971 -1.081 . . . . 0.0 109.703 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 58.96 -139.57 0.74 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.391 -0.818 . . . . 0.0 110.068 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.04 0.24 52.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.91 82.79 5.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.089 . . . . 0.0 109.817 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -71.51 -23.96 61.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.88 -40.15 87.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.042 -1.036 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.8 92.62 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 108.625 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 34.1 ttm -60.02 -46.0 90.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.47 -0.769 . . . . 0.0 109.345 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.78 -39.98 86.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.65 -39.93 84.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 110.726 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.0 -39.96 75.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -0.922 . . . . 0.0 110.335 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -98.78 0.55 44.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 0.0 109.229 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 16.0 m120 52.96 41.36 32.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.768 . . . . 0.0 110.354 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.54 151.55 41.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.12 152.79 56.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.792 1.661 . . . . 0.0 111.634 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.41 -23.37 0.29 Allowed 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.221 1.948 . . . . 0.0 112.734 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -50.0 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.043 -1.036 . . . . 0.0 110.305 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -42.91 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.948 -1.095 . . . . 0.0 110.795 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.187 -0.946 . . . . 0.0 109.983 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.21 -40.03 92.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.595 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.425 HD11 HG22 ' B' ' 36' ' ' ILE . 96.6 mt -61.24 -40.18 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.017 -1.052 . . . . 0.0 108.458 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -16.35 59.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.654 -0.654 . . . . 0.0 109.852 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -94.93 -37.79 11.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.994 -1.066 . . . . 0.0 109.827 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.96 133.12 55.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.133 -0.98 . . . . 0.0 108.81 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.48 -28.62 46.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.096 -1.002 . . . . 0.0 109.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.59 64.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 110.507 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.29 2.05 51.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.083 -1.011 . . . . 0.0 110.52 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.465 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.1 tp60 -77.99 -70.02 0.51 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.914 -1.116 . . . . 0.0 109.409 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.451 -0.78 . . . . 0.0 109.909 -179.27 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.68 0.752 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.66 143.08 31.24 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.586 0.708 . . . . 0.0 110.644 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 5' ' ' ILE . 67.0 t0 -60.0 -39.32 85.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.63 -13.31 0.16 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' A' ' 3' ' ' ASP . 51.5 mt -59.9 -39.77 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.285 -1.127 . . . . 0.0 108.222 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -39.96 87.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.79 -39.99 95.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.692 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.55 -41.98 95.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.102 -0.999 . . . . 0.0 110.448 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.74 -40.01 93.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.0 110.112 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -95.55 7.75 45.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.328 -0.858 . . . . 0.0 110.42 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -50.6 -44.92 57.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.893 -1.129 . . . . 0.0 109.383 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.98 -37.39 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.42 -39.43 87.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.0 110.191 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -84.35 -17.87 38.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.003 -1.061 . . . . 0.0 109.773 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m80 58.04 -126.58 1.58 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.427 -0.795 . . . . 0.0 110.714 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 t -86.79 -3.68 59.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.423 -0.798 . . . . 0.0 110.829 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.07 72.42 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.793 -1.192 . . . . 0.0 109.736 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -69.91 -25.31 63.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.088 -1.007 . . . . 0.0 108.471 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.17 -40.17 88.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.795 . . . . 0.0 109.662 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.89 92.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 109.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.7 ttm -59.94 -47.03 87.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.869 . . . . 0.0 109.706 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -41.51 91.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.99 -1.069 . . . . 0.0 109.451 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 m -64.78 -37.2 86.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 0.0 110.073 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 110.169 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -98.45 0.07 44.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.281 -0.887 . . . . 0.0 109.395 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.7 m120 54.69 45.57 26.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.493 -0.754 . . . . 0.0 110.59 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 mt -118.36 150.01 47.02 Favored Pre-proline 0 N--CA 1.501 2.119 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.7 Cg_endo -70.53 157.43 58.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.982 1.788 . . . . 0.0 112.202 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -42.08 -21.47 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.59 2.193 . . . . 0.0 112.794 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.97 -50.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.94 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -75.33 -43.0 43.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 110.307 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.02 83.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.038 -1.039 . . . . 0.0 109.714 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.0 -40.05 87.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.244 -0.91 . . . . 0.0 109.11 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.21 -40.01 96.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.091 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 HD11 HG22 ' A' ' 36' ' ' ILE . 96.6 mt -61.98 -40.35 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.968 -1.083 . . . . 0.0 108.301 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.45 -19.32 63.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.7 -0.625 . . . . 0.0 110.256 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -95.36 -34.07 12.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.088 -1.008 . . . . 0.0 110.247 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.95 136.41 58.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.955 -1.09 . . . . 0.0 109.044 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.88 -39.99 61.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.938 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.79 -39.99 72.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.043 -1.036 . . . . 0.0 111.656 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.27 0.43 41.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.739 -1.226 . . . . 0.0 110.438 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.54 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.3 tp-100 -78.9 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 109.547 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 -179.623 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.57 143.01 31.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.493 0.663 . . . . 0.0 110.607 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' B' ' 5' ' ' ILE . 66.7 t0 -59.99 -39.19 84.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 -13.13 0.17 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.6 mt -59.93 -39.87 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.298 -1.119 . . . . 0.0 108.101 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.86 -39.93 95.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.55 -0.719 . . . . 0.0 109.656 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.8 71.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.08 -1.013 . . . . 0.0 109.667 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.48 -42.05 95.47 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.01 -1.057 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.63 -39.98 93.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -95.6 7.75 45.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.314 -0.866 . . . . 0.0 110.508 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -50.55 -44.91 56.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.85 -1.156 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.02 -37.35 79.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.58 -39.31 87.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.227 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -84.29 -17.95 37.95 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.97 -1.081 . . . . 0.0 109.785 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.96 -126.67 1.6 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.502 -0.749 . . . . 0.0 110.755 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -86.76 -3.61 59.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.06 72.65 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.817 -1.177 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -70.03 -25.44 63.57 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.151 -0.968 . . . . 0.0 108.441 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.07 88.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.833 . . . . 0.0 109.726 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.92 92.36 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.386 -0.822 . . . . 0.0 109.099 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 27.8 ttm -60.0 -47.05 87.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 0.0 109.564 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.56 -41.71 90.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.976 -1.077 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -64.77 -37.1 86.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.04 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.25 -40.1 78.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.164 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -98.6 0.13 44.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.258 -0.901 . . . . 0.0 109.401 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.8 m120 54.72 45.59 26.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.565 -0.709 . . . . 0.0 110.501 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.41 150.01 47.09 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.8 Cg_endo -70.6 157.33 59.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.073 1.849 . . . . 0.0 112.213 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.92 -21.77 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.672 2.248 . . . . 0.0 112.919 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.0 t -59.98 -49.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.192 -0.943 . . . . 0.0 110.949 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.28 -43.03 43.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.95 -1.094 . . . . 0.0 110.242 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.96 83.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 109.799 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -59.96 -40.04 87.68 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.134 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -63.4 -39.99 96.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 0.0 110.118 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.83 -40.47 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.013 -1.054 . . . . 0.0 108.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.57 -39.98 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -18.87 63.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.763 -0.585 . . . . 0.0 110.293 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -95.51 -34.15 12.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.938 -1.101 . . . . 0.0 110.256 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.73 136.63 58.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.946 -1.096 . . . . 0.0 108.97 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -75.23 -39.94 59.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 110.919 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.73 -39.97 73.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.111 -0.993 . . . . 0.0 111.764 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -82.25 0.55 40.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.776 -1.203 . . . . 0.0 110.248 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.54 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.9 tp60 -79.1 -69.94 0.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.107 -0.996 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.681 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.16 143.01 32.51 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.643 0.735 . . . . 0.0 111.294 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.9 m-20 -59.98 -38.32 82.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.37 -13.9 0.16 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.9 mt -60.04 -37.96 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -1.044 . . . . 0.0 108.663 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' HA ' HE21 ' A' ' 9' ' ' GLN . 93.5 m-20 -60.01 -39.28 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.261 -0.9 . . . . 0.0 109.158 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.31 -36.83 78.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.059 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.44 77.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 110.079 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' A' ' 6' ' ' ASP . 44.5 mt-30 -60.0 -41.07 91.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.115 . . . . 0.0 109.553 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.41 -40.08 89.68 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.283 -0.886 . . . . 0.0 109.517 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -96.63 5.38 50.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 111.162 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.88 -41.09 32.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.622 -1.299 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.04 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.334 -0.854 . . . . 0.0 109.171 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.58 -37.67 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.85 . . . . 0.0 110.013 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.14 -20.02 30.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.916 -1.115 . . . . 0.0 109.527 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m80 58.22 -138.27 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.486 -0.759 . . . . 0.0 110.349 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -0.89 53.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.391 -0.818 . . . . 0.0 109.821 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.67 76.78 8.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 0.0 108.969 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.05 -26.32 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.217 -0.927 . . . . 0.0 109.639 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.45 -42.17 95.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.152 -0.968 . . . . 0.0 110.371 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.44 79.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.12 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.0 ttp -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.358 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.4 -39.69 80.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.973 -1.08 . . . . 0.0 109.529 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 t -66.91 -38.44 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.55 -39.92 77.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.061 -1.024 . . . . 0.0 109.961 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.6 -5.73 45.13 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.124 -0.985 . . . . 0.0 109.075 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.2 m120 52.96 43.1 32.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.392 -0.817 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -109.28 127.7 26.75 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.28 -0.888 . . . . 0.0 109.573 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.3 Cg_exo -44.64 145.46 2.71 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.663 1.575 . . . . 0.0 112.113 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.94 -20.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.631 2.221 . . . . 0.0 113.534 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.5 t -59.92 -50.49 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.85 -1.156 . . . . 0.0 110.565 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.41 -42.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.02 -1.05 . . . . 0.0 110.441 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -51.15 70.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.15 -39.95 88.17 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.3 tm-20 -60.04 -43.55 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.828 . . . . 0.0 110.218 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.41 -47.92 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.966 -1.084 . . . . 0.0 108.594 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.24 -46.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.217 -0.927 . . . . 0.0 108.807 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.28 -20.15 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.586 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 58.5 m -95.61 -31.54 13.23 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.1 -1.0 . . . . 0.0 109.417 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.83 133.44 56.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.133 -0.979 . . . . 0.0 108.511 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.14 -29.76 54.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.751 -1.218 . . . . 0.0 110.659 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.01 -46.74 27.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 111.176 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.17 -22.66 38.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.959 -1.088 . . . . 0.0 111.531 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.5 tt0 -69.56 -58.18 4.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.771 -1.206 . . . . 0.0 110.016 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 C--N 1.3 -1.559 0 O-C-N 121.06 -1.025 . . . . 0.0 108.537 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.15 142.99 32.53 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.689 0.757 . . . . 0.0 111.275 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.56 -13.91 0.18 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' B' ' 3' ' ' ASP . 46.4 mt -59.95 -38.12 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.47 -1.018 . . . . 0.0 108.655 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.04 -39.25 85.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.37 -0.831 . . . . 0.0 109.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.16 -36.97 78.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 0.0 109.029 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.47 77.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.0 110.098 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -59.94 -41.04 90.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.823 -1.173 . . . . 0.0 109.519 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.51 -39.99 89.79 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.499 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -96.64 5.41 50.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 111.165 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.98 -41.05 32.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.303 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.03 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.212 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.45 -37.83 84.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 110.068 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.91 -20.22 31.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.048 . . . . 0.0 109.551 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.7 m80 58.24 -138.69 0.83 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.404 -0.81 . . . . 0.0 110.302 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -83.32 -1.01 52.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.501 -0.749 . . . . 0.0 109.915 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.66 76.88 8.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.049 -1.032 . . . . 0.0 109.013 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.09 -26.71 64.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.292 -0.88 . . . . 0.0 109.606 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.11 79.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.022 -1.049 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -60.98 -43.62 98.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.37 -39.84 80.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.0 -1.062 . . . . 0.0 109.575 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.3 t -66.8 -38.14 85.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 0.0 110.091 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.85 -39.94 76.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.065 . . . . 0.0 109.914 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.68 -5.76 44.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.107 -0.996 . . . . 0.0 109.081 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 27.4 m120 53.02 43.09 32.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.356 -0.84 . . . . 0.0 110.601 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.32 127.67 26.8 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.304 -0.873 . . . . 0.0 109.587 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 98.6 Cg_exo -44.71 145.57 2.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.578 1.519 . . . . 0.0 112.102 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -39.04 -20.55 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.649 2.232 . . . . 0.0 113.607 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.8 t -59.98 -50.41 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.148 . . . . 0.0 110.624 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.51 -42.38 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.999 -1.063 . . . . 0.0 110.397 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.91 71.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.001 -1.062 . . . . 0.0 109.416 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -60.28 -40.06 89.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.482 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.4 tm-20 -60.02 -43.36 95.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.259 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.53 -47.87 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.897 -1.127 . . . . 0.0 108.603 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -46.34 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.237 -0.915 . . . . 0.0 108.841 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.412 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -62.14 -20.3 63.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.808 . . . . 0.0 109.483 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 58.3 m -95.33 -31.59 13.36 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.084 -1.01 . . . . 0.0 109.437 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -58.88 133.28 55.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.154 -0.966 . . . . 0.0 108.546 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.05 -29.48 55.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.772 -1.205 . . . . 0.0 110.688 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -76.17 -46.68 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.994 -1.066 . . . . 0.0 111.157 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.2 m -81.26 -22.4 38.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.925 -1.109 . . . . 0.0 111.57 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 55.8 tt0 -69.81 -58.22 4.15 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.722 -1.236 . . . . 0.0 110.056 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.603 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.62 142.72 27.12 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.607 0.718 . . . . 0.0 110.766 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.2 t0 -60.04 -40.0 87.88 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.94 -18.14 0.12 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.124 -1.591 . . . . 0.0 109.124 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.7 mt -59.96 -40.16 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.432 -1.04 . . . . 0.0 108.864 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -65.58 -39.28 91.45 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.69 77.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.549 -0.719 . . . . 0.0 110.004 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.1 -41.04 91.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.98 -1.075 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -39.98 92.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -0.836 . . . . 0.0 109.607 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.25 9.81 38.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.484 -0.76 . . . . 0.0 111.005 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -50.12 -41.36 48.49 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.789 -1.195 . . . . 0.0 108.91 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.02 -36.73 80.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 109.634 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.08 -40.03 88.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.4 -0.813 . . . . 0.0 110.331 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.13 -17.93 33.67 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.84 -1.163 . . . . 0.0 109.79 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.2 m80 56.71 -127.01 1.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.527 -0.733 . . . . 0.0 109.913 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.5 m -86.0 -8.78 57.72 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.04 74.94 6.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.835 -1.166 . . . . 0.0 109.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -69.97 -26.94 64.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.497 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.02 90.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.37 -0.832 . . . . 0.0 110.424 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.9 89.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.258 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.92 -42.44 99.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.408 -0.807 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.04 -40.06 76.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.213 -0.93 . . . . 0.0 109.196 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.56 -35.86 79.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.417 -0.802 . . . . 0.0 109.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.02 -43.08 72.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 109.597 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.29 -0.3 53.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.402 -0.811 . . . . 0.0 109.605 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.1 50.07 18.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.294 -0.879 . . . . 0.0 110.498 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.26 151.07 47.41 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.535 -0.728 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.56 151.06 52.35 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.175 1.917 . . . . 0.0 111.312 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -41.29 -24.17 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.279 1.986 . . . . 0.0 113.217 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.97 -57.03 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.006 -1.059 . . . . 0.0 110.484 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.04 -40.0 77.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 110.517 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.957 -1.089 . . . . 0.0 109.246 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 109.934 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.74 -40.81 93.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.534 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -41.2 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.885 -1.134 . . . . 0.0 108.366 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.63 -39.94 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.54 -23.82 59.2 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.658 -0.651 . . . . 0.0 110.323 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 m -95.14 -30.8 13.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.919 -1.113 . . . . 0.0 109.63 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.76 129.29 41.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -74.52 -39.27 62.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.04 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.1 -39.93 75.22 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.958 -1.089 . . . . 0.0 110.73 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.2 m -84.66 5.73 26.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.771 -1.206 . . . . 0.0 110.094 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -77.46 -69.98 0.5 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.054 -1.029 . . . . 0.0 109.154 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.74 142.76 27.09 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.644 0.735 . . . . 0.0 110.776 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.3 t0 -60.04 -39.9 87.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.85 -18.23 0.12 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.6 mt -60.12 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.496 -1.003 . . . . 0.0 108.944 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.55 -39.16 91.41 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.87 77.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.535 -0.728 . . . . 0.0 110.051 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.94 -41.19 91.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.135 -0.978 . . . . 0.0 109.31 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.26 -40.14 92.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.335 -0.853 . . . . 0.0 109.606 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.15 9.57 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.449 -0.782 . . . . 0.0 110.974 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -49.92 -41.3 45.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.806 -1.184 . . . . 0.0 108.959 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.11 -36.99 81.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.472 -0.767 . . . . 0.0 109.464 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.368 -0.832 . . . . 0.0 110.338 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -86.19 -17.9 33.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.755 -1.216 . . . . 0.0 109.66 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 56.73 -126.86 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.501 -0.749 . . . . 0.0 109.98 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 m -86.21 -8.74 57.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.636 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.13 75.08 6.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -70.05 -27.02 64.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.511 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.17 89.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.01 89.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.021 . . . . 0.0 109.317 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.83 -42.46 99.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 109.6 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.99 -40.09 75.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.946 . . . . 0.0 109.236 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -67.57 -36.05 80.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.46 -0.775 . . . . 0.0 109.718 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -69.88 -43.11 72.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.223 -0.923 . . . . 0.0 109.68 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.18 -0.36 53.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.323 -0.861 . . . . 0.0 109.671 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.4 m120 53.3 50.0 18.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.283 -0.886 . . . . 0.0 110.42 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.32 151.07 47.49 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.512 -0.742 . . . . 0.0 109.295 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -72.75 151.24 51.42 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.122 1.882 . . . . 0.0 111.268 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.35 -24.0 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.28 1.987 . . . . 0.0 113.255 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.15 -56.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.944 -1.097 . . . . 0.0 110.483 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -39.89 77.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.442 -0.786 . . . . 0.0 110.554 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.73 76.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.853 -1.154 . . . . 0.0 109.228 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.04 -39.92 87.58 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 109.921 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.82 -40.59 93.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.25 -41.34 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.93 -1.106 . . . . 0.0 108.274 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -67.42 -40.01 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.94 59.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.601 -0.687 . . . . 0.0 110.24 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.1 m -95.02 -30.72 13.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.998 -1.064 . . . . 0.0 109.739 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.2 t -59.84 129.28 41.09 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.083 -1.011 . . . . 0.0 108.571 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -74.3 -39.57 62.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.891 . . . . 0.0 111.048 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.02 -39.93 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.859 -1.151 . . . . 0.0 110.854 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -84.57 5.62 27.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.798 -1.189 . . . . 0.0 110.084 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -77.45 -69.94 0.5 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.064 . . . . 0.0 109.097 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.459 -0.775 . . . . 0.0 109.732 -179.597 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.667 0.746 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -98.43 142.01 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.64 . . . . 0.0 110.612 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.03 -40.01 87.84 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.84 -16.61 0.22 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 80.5 mt -60.48 -40.41 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.345 -1.091 . . . . 0.0 108.647 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.95 -39.99 91.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.94 -39.72 94.81 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' CYS . . . -59.68 -31.97 70.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.523 -0.735 . . . . 0.0 109.746 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -59.98 -49.84 76.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.75 -38.5 85.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.453 -0.779 . . . . 0.0 109.648 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.01 -2.3 58.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.281 -0.887 . . . . 0.0 109.89 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' ALA . 46.4 t -50.83 -36.3 36.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.885 -1.134 . . . . 0.0 109.627 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.5 tt0 -60.13 -39.95 88.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 110.143 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.68 -39.99 90.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.514 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -85.75 -24.16 27.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.855 -1.153 . . . . 0.0 109.795 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 66.6 m80 56.51 -119.14 1.27 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.487 -0.758 . . . . 0.0 109.993 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.46 -8.61 56.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.841 . . . . 0.0 110.501 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -78.94 68.2 4.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.942 -1.099 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.01 -25.42 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 109.337 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.31 -41.31 93.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 0.0 109.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.88 77.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.213 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.1 ttp -62.16 -42.2 99.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.832 . . . . 0.0 109.718 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.08 83.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.078 -1.013 . . . . 0.0 108.718 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 m -67.14 -37.34 83.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.552 -0.717 . . . . 0.0 110.105 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.63 -40.02 76.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.011 -1.055 . . . . 0.0 110.151 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -95.24 0.6 54.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.152 -0.968 . . . . 0.0 109.03 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 51.91 49.87 19.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -115.36 154.82 47.58 Favored Pre-proline 0 N--CA 1.501 2.085 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_endo -76.09 149.26 32.18 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.498 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -39.06 -25.81 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.53 2.153 . . . . 0.0 113.4 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -59.91 -50.24 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.97 -1.081 . . . . 0.0 110.743 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.61 -39.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.008 -1.058 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.25 66.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.242 -0.911 . . . . 0.0 109.267 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 109.384 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.73 -40.16 91.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 110.396 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.92 -41.09 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.006 -1.059 . . . . 0.0 108.861 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.82 -38.71 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.03 -22.12 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.782 -0.573 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.6 m -91.44 -33.31 15.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.891 -1.131 . . . . 0.0 109.358 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.38 -26.29 46.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.149 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.52 -39.99 67.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.984 -1.072 . . . . 0.0 110.068 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.3 m -81.34 -6.94 59.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 109.855 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.5 tp-100 -78.86 -70.1 0.52 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 109.639 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.235 -0.915 . . . . 0.0 109.791 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.66 0.743 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.39 142.04 30.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.556 -0.715 . . . . 0.0 110.663 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.2 m-20 -60.12 -39.96 88.08 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -16.59 0.22 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 80.3 mt -60.31 -40.35 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.256 -1.144 . . . . 0.0 108.703 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.11 -39.96 91.95 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.83 -39.8 95.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 12' ' ' CYS . . . -59.65 -31.78 69.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.366 -0.834 . . . . 0.0 109.795 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.1 -49.76 76.39 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.84 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.73 -38.45 85.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 0.0 109.766 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -89.18 -2.44 58.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 109.806 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' B' ' 8' ' ' ALA . 47.0 t -50.7 -36.32 35.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.846 -1.159 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.6 -40.03 90.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -0.972 . . . . 0.0 110.398 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -85.89 -24.09 26.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.919 -1.113 . . . . 0.0 109.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 66.5 m80 56.5 -119.25 1.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.457 -0.777 . . . . 0.0 109.954 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.31 -8.65 56.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.333 -0.854 . . . . 0.0 110.532 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.91 68.1 4.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.986 -1.071 . . . . 0.0 109.849 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.0 -25.53 63.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.262 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -41.29 93.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 0.0 109.565 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.97 77.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 0.0 109.273 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.99 -42.18 98.86 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.65 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.01 83.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.995 -1.065 . . . . 0.0 108.742 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -67.25 -37.27 83.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.606 -0.684 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.67 -39.97 76.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.025 -1.047 . . . . 0.0 110.207 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -95.27 0.5 53.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -1.0 . . . . 0.0 108.929 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m120 51.92 49.94 19.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt -115.5 154.68 47.76 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.498 -0.751 . . . . 0.0 109.049 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.96 149.29 32.74 Favored 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.86 1.707 . . . . 0.0 111.453 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -38.99 -25.96 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.584 2.189 . . . . 0.0 113.386 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -50.17 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.896 -1.128 . . . . 0.0 110.79 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.51 -39.43 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.074 -1.016 . . . . 0.0 109.974 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.1 66.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.281 -0.887 . . . . 0.0 109.152 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.18 -40.03 88.54 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.352 -0.843 . . . . 0.0 109.322 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.64 -40.29 91.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.468 -0.77 . . . . 0.0 110.398 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.955 -1.09 . . . . 0.0 108.814 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.99 -38.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.04 -22.07 62.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.911 -0.493 . . . . 0.0 110.527 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.0 m -91.3 -33.09 15.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.914 -1.117 . . . . 0.0 109.365 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.96 131.61 51.4 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.31 -26.53 46.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.0 110.011 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.48 -40.12 67.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.029 -1.044 . . . . 0.0 109.909 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -81.26 -6.64 59.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.205 -0.935 . . . . 0.0 109.879 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 49.5 tp60 -79.12 -69.98 0.54 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.76 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.569 -179.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.48 145.05 25.47 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.801 0.81 . . . . 0.0 110.854 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.7 m-20 -60.07 -39.94 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.26 -15.4 0.41 Allowed Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.21 -41.5 87.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.069 -1.253 . . . . 0.0 108.673 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.18 -40.05 88.63 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.81 92.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.36 75.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 109.673 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -43.53 95.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.79 -39.9 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.846 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.19 1.05 57.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.369 -0.832 . . . . 0.0 110.417 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -40.92 35.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.781 -1.2 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -38.35 82.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.436 -0.79 . . . . 0.0 109.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.45 -39.75 94.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.275 -0.891 . . . . 0.0 109.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.14 -19.21 28.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.076 -1.015 . . . . 0.0 109.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 57.64 -133.03 1.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.552 -0.717 . . . . 0.0 110.492 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.6 p -82.25 -8.27 59.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.568 -0.708 . . . . 0.0 110.845 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.07 78.07 4.56 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.656 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.03 -26.14 63.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.492 -0.755 . . . . 0.0 109.277 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.18 -40.37 93.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.12 79.86 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.187 -0.946 . . . . 0.0 109.489 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.61 -41.35 98.94 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.238 -0.914 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -40.4 88.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 109.148 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m -65.7 -38.9 90.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.421 -0.8 . . . . 0.0 109.759 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -68.61 -45.75 71.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -92.57 -0.87 57.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.348 -0.845 . . . . 0.0 109.213 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.4 m-80 51.79 49.79 20.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 0.0 110.482 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.14 153.59 46.29 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.508 -0.745 . . . . 0.0 109.426 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' VAL . 86.2 Cg_endo -78.46 151.14 25.59 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.249 1.966 . . . . 0.0 111.366 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -38.03 -22.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.357 2.038 . . . . 0.0 113.324 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' PRO . 62.6 t -59.51 -61.39 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.856 -1.152 . . . . 0.0 110.105 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.99 -40.15 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.45 -0.781 . . . . 0.0 110.672 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.04 79.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.698 -1.251 . . . . 0.0 109.326 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -60.58 -39.96 89.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.175 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.13 -42.11 94.1 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.2 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 36' ' ' ILE . 96.9 mt -62.14 -40.25 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.932 -1.105 . . . . 0.0 108.206 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.12 -40.0 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.72 27.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.684 -0.635 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -92.01 -45.61 8.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.96 130.12 45.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.283 -0.886 . . . . 0.0 108.74 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -79.73 -27.25 40.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.012 -1.055 . . . . 0.0 110.019 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.08 -45.35 49.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.994 -1.066 . . . . 0.0 110.564 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 71.7 m -79.87 -29.97 40.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.149 -0.969 . . . . 0.0 110.773 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.2 -56.05 6.87 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.937 -1.102 . . . . 0.0 111.089 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.161 -0.962 . . . . 0.0 110.234 -178.206 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.422 0.629 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -95.29 144.97 25.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.87 . . . . 0.0 110.927 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.5 m-20 -60.02 -39.93 87.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -14.94 0.41 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.9 mt -60.63 -41.38 87.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.127 -1.22 . . . . 0.0 108.593 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -40.09 88.91 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.61 91.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.499 -0.751 . . . . 0.0 109.033 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.25 75.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.03 -43.59 95.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.901 -1.125 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.67 -39.97 93.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.429 -0.795 . . . . 0.0 109.768 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.41 1.27 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.36 -40.96 37.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.874 -1.141 . . . . 0.0 109.444 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.17 -37.98 81.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.7 -39.78 95.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.837 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -87.06 -19.21 28.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.104 -0.998 . . . . 0.0 109.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 57.45 -133.05 1.29 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.57 0.7 . . . . 0.0 110.502 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -82.08 -8.39 59.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.576 -0.703 . . . . 0.0 110.818 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -77.95 77.94 4.45 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -26.01 63.81 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.476 -0.765 . . . . 0.0 109.339 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.15 -40.46 93.93 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.08 79.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.218 -0.926 . . . . 0.0 109.549 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.62 -41.4 98.98 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.93 -40.41 88.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.073 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.65 -38.87 90.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -68.72 -45.65 70.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.687 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.65 -0.82 57.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.415 -0.803 . . . . 0.0 109.309 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 3.4 m-80 51.73 49.83 20.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.388 -0.82 . . . . 0.0 110.584 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.21 153.66 46.35 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 121.511 -0.743 . . . . 0.0 109.343 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' B' ' 31' ' ' VAL . 87.9 Cg_endo -78.42 151.34 25.89 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.233 1.955 . . . . 0.0 111.447 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -38.24 -22.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.429 2.086 . . . . 0.0 113.268 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.8 t -59.66 -61.4 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.81 -1.181 . . . . 0.0 110.072 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.95 -40.03 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.48 -0.763 . . . . 0.0 110.709 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.29 78.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.691 -1.255 . . . . 0.0 109.206 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.369 -0.832 . . . . 0.0 109.194 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.99 -42.32 93.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.335 -0.853 . . . . 0.0 110.34 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 36' ' ' ILE . 96.9 mt -61.9 -40.31 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.948 -1.095 . . . . 0.0 108.18 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.14 -40.0 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.9 27.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.709 -0.619 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.2 m -91.91 -45.47 8.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.96 130.11 45.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.34 -0.85 . . . . 0.0 108.898 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.69 -27.27 40.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.091 -1.005 . . . . 0.0 110.061 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.03 -45.4 49.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.038 . . . . 0.0 110.632 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.87 -30.04 40.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.025 -1.047 . . . . 0.0 110.806 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.33 -55.61 7.67 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.929 -1.107 . . . . 0.0 111.208 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.109 -0.994 . . . . 0.0 110.258 -178.431 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.32 143.36 29.66 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.568 0.699 . . . . 0.0 110.696 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.2 t0 -59.97 -38.79 83.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -16.12 0.4 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' ASP . 72.1 mt -60.13 -41.42 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 0.0 108.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.32 -40.04 89.15 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -61.54 -39.29 90.55 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.586 -0.696 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.31 -39.88 84.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.05 -43.97 95.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.744 -1.223 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.89 -39.94 93.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.521 -0.737 . . . . 0.0 110.131 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.04 8.68 38.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 110.135 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -51.03 -40.34 58.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.048 -1.033 . . . . 0.0 109.197 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.6 -39.86 89.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.403 -0.811 . . . . 0.0 110.214 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -62.03 -40.04 94.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.005 -1.059 . . . . 0.0 109.606 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.62 -15.47 34.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.136 -0.977 . . . . 0.0 109.075 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.7 m80 57.81 -137.09 0.94 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.62 -0.675 . . . . 0.0 109.714 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -85.97 -0.13 54.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.35 76.9 8.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.008 -1.058 . . . . 0.0 109.48 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.02 -26.33 64.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.119 -0.988 . . . . 0.0 109.666 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.14 -40.77 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 110.1 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.05 79.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.962 . . . . 0.0 108.8 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.493 ' C ' ' SD ' ' A' ' 22' ' ' MET . 15.4 tmm? -60.13 -47.57 85.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.555 -0.716 . . . . 0.0 109.106 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -55.47 -39.6 70.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.111 -0.993 . . . . 0.0 109.438 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -65.29 -40.0 93.29 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.692 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.07 -40.02 75.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.229 -0.919 . . . . 0.0 110.229 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -95.66 -0.42 51.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.075 -1.015 . . . . 0.0 109.243 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.2 m120 50.28 43.63 26.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.116 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -106.94 121.49 44.69 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.397 -0.815 . . . . 0.0 109.903 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.5 Cg_exo -44.42 145.31 2.58 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.672 1.581 . . . . 0.0 111.284 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.69 -21.42 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.072 1.848 . . . . 0.0 113.396 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -58.49 -57.8 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.809 -1.182 . . . . 0.0 110.337 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.98 -40.8 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 0.0 110.044 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.59 72.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.774 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -59.97 -39.04 84.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.57 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.405 -0.81 . . . . 0.0 110.62 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -61.2 -40.28 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.839 -1.163 . . . . 0.0 108.941 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.7 -40.09 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.41 -21.97 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.693 . . . . 0.0 110.278 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -91.96 -38.64 12.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.998 -1.063 . . . . 0.0 109.732 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.9 132.69 54.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.664 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.88 -30.69 40.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 0.0 110.488 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -71.96 -40.38 68.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.971 . . . . 0.0 110.284 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -86.3 7.39 25.59 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.09 -1.006 . . . . 0.0 109.756 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.99 -70.0 0.53 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.0 109.833 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.839 . . . . 0.0 109.409 -179.294 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -99.45 143.57 29.55 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.601 -0.687 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 5' ' ' ILE . 37.2 t0 -60.01 -38.53 82.94 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.31 -15.89 0.47 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' B' ' 3' ' ' ASP . 72.4 mt -60.19 -41.64 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.213 -1.169 . . . . 0.0 108.62 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.08 -40.02 88.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.71 -38.81 89.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.511 -0.743 . . . . 0.0 109.222 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.81 86.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 0.0 110.342 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.05 -44.05 94.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.683 -1.261 . . . . 0.0 109.203 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.9 -40.01 93.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.538 -0.726 . . . . 0.0 109.991 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.12 8.63 39.31 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.147 -0.971 . . . . 0.0 110.105 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 47.8 t -50.83 -40.16 55.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.263 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.81 -39.93 90.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 0.0 110.214 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.88 -39.99 93.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.968 . . . . 0.0 109.6 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.61 -15.6 34.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.097 -1.002 . . . . 0.0 109.074 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 57.72 -137.2 0.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.649 -0.657 . . . . 0.0 109.707 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -85.75 -0.2 54.58 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.26 -0.9 . . . . 0.0 110.288 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.26 77.09 8.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.917 -1.115 . . . . 0.0 109.516 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -69.98 -26.61 64.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.94 91.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.007 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.97 79.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.496 ' C ' ' SD ' ' B' ' 22' ' ' MET . 15.3 tmm? -60.11 -47.43 85.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.468 -0.77 . . . . 0.0 109.025 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -55.62 -39.45 70.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.523 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -65.39 -40.05 92.99 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.331 -0.856 . . . . 0.0 109.678 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.98 -40.01 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.235 -0.916 . . . . 0.0 110.221 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -95.62 -0.48 51.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.142 -0.974 . . . . 0.0 109.297 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.2 m120 50.35 43.45 26.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.923 . . . . 0.0 110.117 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -106.93 121.48 44.73 Favored Pre-proline 0 N--CA 1.498 1.925 0 O-C-N 121.496 -0.753 . . . . 0.0 109.944 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 31' ' ' VAL . 99.0 Cg_exo -44.35 145.32 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.627 1.551 . . . . 0.0 111.234 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.76 -21.12 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.175 1.917 . . . . 0.0 113.294 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -58.57 -57.75 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.898 -1.126 . . . . 0.0 110.35 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -41.01 78.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.43 -0.794 . . . . 0.0 110.016 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.52 72.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.113 -0.992 . . . . 0.0 109.763 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.08 -39.02 84.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.433 -0.792 . . . . 0.0 110.558 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.403 HD11 HG22 ' B' ' 36' ' ' ILE . 96.5 mt -60.96 -40.96 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.82 -1.175 . . . . 0.0 108.904 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.26 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 108.596 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.99 62.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 110.299 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.28 -38.51 12.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.639 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.95 132.78 55.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.029 -1.044 . . . . 0.0 108.579 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -80.11 -30.59 39.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.107 -0.995 . . . . 0.0 110.44 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -72.0 -40.66 68.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.03 -1.043 . . . . 0.0 110.23 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -86.12 7.53 24.5 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.107 -0.996 . . . . 0.0 109.678 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -79.19 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.267 -0.896 . . . . 0.0 109.824 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.359 -179.339 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.592 0.711 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 143.03 31.07 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.713 . . . . 0.0 110.771 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.5 m-20 -60.0 -39.38 85.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.39 -15.13 0.12 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.5 mt -60.06 -36.02 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.527 -0.984 . . . . 0.0 108.485 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.39 82.39 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 37.6 ttmt -62.71 -39.95 95.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.79 77.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.202 -0.936 . . . . 0.0 109.944 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -60.03 -40.54 89.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -40.34 90.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.408 -0.807 . . . . 0.0 110.581 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 31.2 mp0 -100.53 15.75 26.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -49.2 -43.88 42.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.9 -1.125 . . . . 0.0 109.4 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.3 -34.25 73.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.621 -0.675 . . . . 0.0 110.148 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -60.03 -39.22 85.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -85.3 -16.3 40.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.883 -1.136 . . . . 0.0 108.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.87 -132.9 1.41 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 109.986 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.9 p -83.19 -7.49 59.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.202 -0.936 . . . . 0.0 110.199 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.5 76.11 5.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.98 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -69.97 -23.65 63.2 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.395 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -39.98 89.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.99 92.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.948 . . . . 0.0 109.562 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.89 -42.36 98.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.67 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -66.22 -39.98 89.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 0.0 110.591 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.91 -40.08 75.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.014 -1.054 . . . . 0.0 110.316 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -96.79 -1.65 45.82 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.265 -0.897 . . . . 0.0 109.605 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.6 m120 53.49 43.64 30.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.209 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 mt -112.92 151.61 44.22 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.26 154.62 51.61 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.001 1.8 . . . . 0.0 112.362 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.01 -26.27 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.878 2.385 . . . . 0.0 113.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.88 -50.31 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 120.917 -1.114 . . . . 0.0 110.152 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.06 -41.89 52.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.032 -1.042 . . . . 0.0 110.431 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.53 68.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.861 -1.149 . . . . 0.0 109.808 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.29 -40.01 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.107 -0.995 . . . . 0.0 109.906 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.89 -40.05 91.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 0.0 110.271 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.03 -40.62 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.044 -1.035 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.98 -40.07 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.69 -17.73 25.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.742 -0.599 . . . . 0.0 110.067 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -91.67 -45.24 8.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.929 -1.107 . . . . 0.0 108.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.47 129.42 41.91 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.07 -33.95 50.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.913 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.958 -1.089 . . . . 0.0 110.891 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.0 m -77.91 -30.46 50.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.859 -1.15 . . . . 0.0 110.211 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -76.09 -64.19 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.054 -1.029 . . . . 0.0 108.827 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 0.0 109.038 179.575 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 74.3 mt -100.52 142.99 31.23 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.57 0.7 . . . . 0.0 110.82 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.2 m-20 -60.01 -39.25 85.18 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.35 -15.37 0.13 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.1 mt -59.9 -36.15 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -1.01 . . . . 0.0 108.49 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.42 82.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 37.5 ttmt -62.64 -40.04 95.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.401 -0.812 . . . . 0.0 109.247 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.86 77.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -59.99 -40.66 89.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.032 -1.043 . . . . 0.0 109.87 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -40.4 90.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.366 -0.834 . . . . 0.0 110.606 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 31.2 mp0 -100.47 15.58 27.44 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.24 -43.96 43.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.977 -1.077 . . . . 0.0 109.377 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.21 -34.32 73.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.58 -0.7 . . . . 0.0 110.226 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.99 -39.32 85.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.776 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -85.21 -16.27 40.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.976 -1.078 . . . . 0.0 108.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.93 -132.71 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.498 -0.752 . . . . 0.0 110.044 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -83.35 -7.51 59.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 110.186 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -78.54 76.26 5.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.916 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.6 p-90 -70.11 -23.7 63.08 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.282 -0.886 . . . . 0.0 109.293 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.24 -40.0 88.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.018 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.95 91.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.923 . . . . 0.0 109.52 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.84 -42.52 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.181 -0.949 . . . . 0.0 109.735 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -40.01 87.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 109.762 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -66.25 -39.9 89.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.337 -0.852 . . . . 0.0 110.661 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.96 -40.03 75.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.001 -1.062 . . . . 0.0 110.294 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.94 -1.63 45.34 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.23 -0.919 . . . . 0.0 109.564 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 53.4 43.83 30.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.05 151.67 44.34 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.24 154.54 51.64 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.056 1.837 . . . . 0.0 112.307 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -40.95 -26.31 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.889 2.392 . . . . 0.0 113.853 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.02 -49.91 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 110.278 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.37 -41.6 50.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.047 -1.033 . . . . 0.0 110.395 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.48 69.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.961 -1.087 . . . . 0.0 109.737 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.19 -40.06 88.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.026 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.0 -39.9 91.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.287 -0.883 . . . . 0.0 110.266 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.402 HG22 HD11 ' B' ' 36' ' ' ILE . 89.3 mt -60.11 -40.44 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.041 -1.037 . . . . 0.0 108.404 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.06 -40.06 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.9 27.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 110.006 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -91.5 -45.11 8.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.979 -1.076 . . . . 0.0 108.684 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -59.64 129.42 41.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -77.93 -34.03 51.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 111.06 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.71 -42.86 70.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.993 -1.067 . . . . 0.0 110.951 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.6 m -78.14 -30.32 49.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.849 -1.157 . . . . 0.0 110.167 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -76.14 -64.38 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.083 -1.011 . . . . 0.0 108.864 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.016 179.486 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.88 140.81 30.11 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.723 0.773 . . . . 0.0 110.867 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.0 m-20 -60.02 -38.42 82.63 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 -14.37 0.41 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 66.7 mt -59.89 -39.38 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.509 -0.995 . . . . 0.0 108.951 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.02 -38.41 82.61 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -38.5 91.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.865 . . . . 0.0 108.878 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.85 71.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.07 -40.73 90.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.133 -0.979 . . . . 0.0 108.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -40.0 94.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.517 -0.739 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.24 0.06 57.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 110.331 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.98 -44.1 40.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.888 -1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.13 -38.11 82.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.289 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.4 -40.01 89.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.44 -14.14 44.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 109.245 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 59.04 -138.4 0.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.756 . . . . 0.0 110.292 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -80.77 -8.24 59.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.05 76.06 4.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.0 109.591 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.24 -25.14 63.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.469 -0.769 . . . . 0.0 109.39 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.29 -40.26 89.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.649 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.13 83.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.0 109.357 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.83 -40.0 94.48 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.263 -0.898 . . . . 0.0 109.511 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.31 93.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.979 -1.075 . . . . 0.0 109.72 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 73.6 m -64.41 -40.03 94.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.133 -0.979 . . . . 0.0 110.248 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.94 -40.01 75.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.014 . . . . 0.0 110.55 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -92.79 -0.74 57.21 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.923 -1.111 . . . . 0.0 109.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.3 m120 52.12 48.22 23.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.574 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -116.98 151.21 47.19 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.477 -0.764 . . . . 0.0 109.149 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.92 154.29 53.2 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.066 1.844 . . . . 0.0 112.182 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.07 -27.59 1.04 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.488 2.125 . . . . 0.0 113.361 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -52.49 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.93 -1.106 . . . . 0.0 110.273 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.48 -40.11 63.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.751 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.47 69.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.158 -0.964 . . . . 0.0 109.713 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.013 . . . . 0.0 109.836 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.4 -40.01 92.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.356 -0.84 . . . . 0.0 110.488 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.59 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.52 -39.93 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.52 -20.74 48.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.874 -0.516 . . . . 0.0 109.96 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.1 m -96.59 -34.38 11.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.985 . . . . 0.0 109.555 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.39 132.4 53.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.148 -0.97 . . . . 0.0 108.907 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.216 -0.928 . . . . 0.0 111.465 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.992 -1.067 . . . . 0.0 110.587 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.3 2.09 41.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.857 -1.152 . . . . 0.0 109.91 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -76.66 -69.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.069 -1.019 . . . . 0.0 108.748 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.393 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.85 140.92 29.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.725 0.774 . . . . 0.0 110.897 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' B' ' 5' ' ' ILE . 95.8 m-20 -60.06 -38.54 83.11 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -14.47 0.39 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.491 ' H ' ' C ' ' B' ' 3' ' ' ASP . 66.3 mt -60.04 -39.37 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.466 -1.02 . . . . 0.0 108.896 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.91 -38.45 82.36 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.08 -38.44 91.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 108.848 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.94 71.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -0.836 . . . . 0.0 109.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.01 -40.6 89.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.109 -0.995 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -39.96 94.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.458 -0.776 . . . . 0.0 110.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -90.18 -0.08 57.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.231 -0.918 . . . . 0.0 110.291 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -48.84 -44.21 39.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.998 -1.064 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.05 -38.22 82.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.418 -0.801 . . . . 0.0 109.24 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.39 -40.0 89.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.42 -13.98 44.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.151 -0.968 . . . . 0.0 109.314 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 58.97 -138.32 0.78 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.49 -0.756 . . . . 0.0 110.213 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -8.37 59.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.568 -0.707 . . . . 0.0 110.2 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 75.82 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.644 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.01 -25.08 63.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.805 . . . . 0.0 109.476 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.32 90.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.883 . . . . 0.0 109.619 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.03 83.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.97 -39.97 94.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.168 -0.958 . . . . 0.0 109.496 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.42 94.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.055 . . . . 0.0 109.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 73.3 m -64.4 -39.93 94.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.978 . . . . 0.0 110.486 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -92.92 -0.59 57.19 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.946 -1.096 . . . . 0.0 109.35 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.3 m120 52.13 48.25 23.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.86 . . . . 0.0 110.581 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -117.0 151.18 47.16 Favored Pre-proline 0 N--CA 1.501 2.097 0 O-C-N 121.433 -0.792 . . . . 0.0 109.093 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.92 154.32 53.17 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.072 1.848 . . . . 0.0 112.12 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.03 -27.48 0.98 Allowed 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.48 2.12 . . . . 0.0 113.376 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -52.8 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.921 -1.112 . . . . 0.0 110.225 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.19 -40.12 65.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -51.43 69.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.27 -40.0 88.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 109.88 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.33 -40.05 92.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 0.0 110.47 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.0 -42.5 89.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 120.988 -1.07 . . . . 0.0 108.189 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.68 -39.95 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.88 48.7 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.697 -0.627 . . . . 0.0 109.971 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.4 m -96.44 -34.55 11.47 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.097 -1.002 . . . . 0.0 109.618 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.18 132.51 54.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.12 -0.987 . . . . 0.0 108.909 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.439 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -69.97 -40.04 75.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.914 -1.116 . . . . 0.0 110.566 -178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.21 1.98 42.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.889 -1.132 . . . . 0.0 109.818 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -76.6 -69.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.043 -1.036 . . . . 0.0 108.982 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.388 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.8 mt -97.25 142.39 29.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.804 0.812 . . . . 0.0 111.026 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 87.4 m-20 -60.05 -39.91 87.6 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.9 -13.97 0.23 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.7 mt -60.2 -39.97 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.218 -1.166 . . . . 0.0 108.846 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.41 -39.86 88.91 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 63.6 tttp -61.92 -38.61 89.08 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -32.88 68.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 110.078 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.25 -40.04 88.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.099 -1.001 . . . . 0.0 110.136 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.32 -40.03 89.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.246 -0.909 . . . . 0.0 111.13 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 55.2 mp0 -93.2 -0.83 56.76 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.832 -1.167 . . . . 0.0 110.298 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.59 -37.65 41.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 109.944 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.07 -40.07 88.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.753 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.87 -27.71 65.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.998 -1.064 . . . . 0.0 110.216 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.61 -16.4 39.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.874 -1.141 . . . . 0.0 109.125 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 58.6 -139.56 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.509 -0.744 . . . . 0.0 109.982 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -85.02 -0.03 53.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.386 -0.821 . . . . 0.0 109.884 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.45 78.47 5.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.978 -1.076 . . . . 0.0 109.805 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.98 -25.15 63.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.213 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.22 -40.45 90.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.924 . . . . 0.0 110.075 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.51 70.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.08 -1.012 . . . . 0.0 109.728 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -60.85 -40.07 91.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.67 83.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.893 -1.129 . . . . 0.0 109.299 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -67.41 -38.02 83.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 0.0 110.202 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.29 -39.92 78.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.014 -1.054 . . . . 0.0 110.193 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -94.93 -0.55 53.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.262 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 m120 51.68 48.94 21.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.32 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 mt -116.3 150.65 45.71 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.316 -0.865 . . . . 0.0 109.387 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.35 156.98 60.6 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.219 1.946 . . . . 0.0 111.456 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.73 -24.87 2.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.356 2.037 . . . . 0.0 113.473 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -50.32 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.831 -1.168 . . . . 0.0 110.685 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.16 -40.1 29.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 120.741 -1.224 . . . . 0.0 110.507 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.04 67.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.915 -1.115 . . . . 0.0 109.467 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.42 -39.87 92.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.451 -0.781 . . . . 0.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.05 -39.96 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -40.02 82.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.12 -22.58 62.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.7 -0.625 . . . . 0.0 109.91 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.9 m -95.2 -35.95 11.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.06 -1.025 . . . . 0.0 109.307 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.6 t -59.41 128.07 35.24 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -75.34 -33.91 61.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.236 -0.915 . . . . 0.0 110.97 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.09 -41.44 74.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.082 -1.011 . . . . 0.0 110.53 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -87.01 0.93 54.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.216 -0.928 . . . . 0.0 110.31 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.4 tp-100 -69.78 -59.32 3.02 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.009 -1.057 . . . . 0.0 109.573 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 0.0 109.577 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.7 mt -97.27 142.34 29.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.0 110.963 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 5' ' ' ILE . 87.5 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -13.79 0.23 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.6 mt -60.27 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.282 -1.128 . . . . 0.0 108.812 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.27 -39.91 88.5 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 63.6 tttp -61.83 -38.84 89.67 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.8 -32.86 67.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 110.169 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.24 -40.16 89.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.032 -1.043 . . . . 0.0 110.149 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.39 -40.0 89.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.194 -0.941 . . . . 0.0 111.053 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 11' ' ' GLU . 56.2 mp0 -93.11 -0.9 56.9 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.931 -1.106 . . . . 0.0 110.375 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.53 -37.87 41.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.09 -1.006 . . . . 0.0 109.877 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.199 -0.938 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.85 -27.64 65.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.01 -1.056 . . . . 0.0 110.353 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.63 -16.35 39.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.827 -1.17 . . . . 0.0 109.154 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 58.66 -139.39 0.77 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.64 -0.663 . . . . 0.0 109.932 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -84.98 -0.03 52.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.84 . . . . 0.0 109.926 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.66 78.55 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.988 -1.07 . . . . 0.0 109.79 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.08 -25.08 63.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.398 -0.813 . . . . 0.0 109.136 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.38 -40.45 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 0.0 110.079 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.66 70.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.113 -0.992 . . . . 0.0 109.713 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -60.8 -40.06 91.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.04 84.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.01 -1.056 . . . . 0.0 109.265 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -67.22 -37.92 84.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.333 -0.854 . . . . 0.0 110.289 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.22 -40.14 78.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.158 -0.964 . . . . 0.0 110.126 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.05 -0.21 53.86 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 m120 51.39 49.02 21.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 110.387 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -116.5 150.78 46.11 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.364 -0.835 . . . . 0.0 109.286 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.44 156.97 60.46 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.182 1.921 . . . . 0.0 111.628 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.6 -25.07 2.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.439 2.093 . . . . 0.0 113.543 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.815 -1.178 . . . . 0.0 110.61 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.38 -40.19 28.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.885 -1.135 . . . . 0.0 110.508 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.883 -1.136 . . . . 0.0 109.602 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.05 -40.12 88.35 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.376 -0.827 . . . . 0.0 109.538 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.39 -39.98 92.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 110.54 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.01 -40.05 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -22.89 63.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.76 -0.588 . . . . 0.0 109.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.3 m -94.9 -35.88 11.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.066 -1.021 . . . . 0.0 109.41 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.37 127.97 34.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -75.29 -33.84 61.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.192 -0.943 . . . . 0.0 110.935 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.13 -41.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.0 110.517 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.03 0.79 54.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.126 -0.984 . . . . 0.0 110.201 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -69.68 -59.63 2.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.979 -1.076 . . . . 0.0 109.505 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.492 -179.56 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.52 142.23 31.28 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.837 0.827 . . . . 0.0 111.592 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.06 -38.29 82.39 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -12.37 0.17 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 3' ' ' ASP . 42.5 mt -59.93 -38.16 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.437 -1.037 . . . . 0.0 109.061 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 52.8 t0 -59.93 -37.68 80.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 108.918 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.57 -36.73 84.63 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.85 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 109.665 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.89 -41.39 91.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.062 . . . . 0.0 109.546 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.81 -39.91 90.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.321 -0.862 . . . . 0.0 110.001 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.04 7.35 44.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.208 -0.933 . . . . 0.0 110.424 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -50.08 -47.43 53.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 108.997 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.73 -39.66 89.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.587 -0.696 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.149 -0.969 . . . . 0.0 109.881 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -85.68 -11.86 52.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 59.26 -134.37 0.89 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.541 -0.725 . . . . 0.0 110.525 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.2 0.92 54.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 0.0 110.39 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.27 78.02 6.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.935 -1.103 . . . . 0.0 109.194 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.93 -26.29 64.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.155 -0.965 . . . . 0.0 110.036 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.035 -1.04 . . . . 0.0 110.083 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.32 93.29 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 108.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.5 ttm -60.03 -45.24 93.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.829 . . . . 0.0 109.541 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.34 -43.95 92.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.271 -0.893 . . . . 0.0 109.505 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -63.66 -39.98 95.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 0.0 110.439 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.0 -40.51 75.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.166 -0.959 . . . . 0.0 110.909 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.67 0.02 52.18 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.043 -1.036 . . . . 0.0 109.333 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.6 m120 53.72 50.04 17.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.36 -0.837 . . . . 0.0 110.147 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 mt -120.13 152.67 54.79 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.69 150.83 45.68 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.01 1.807 . . . . 0.0 111.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -40.97 -23.88 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.439 2.093 . . . . 0.0 113.197 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.05 -50.44 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.954 -1.091 . . . . 0.0 110.281 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.93 -40.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.321 -0.862 . . . . 0.0 110.562 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.13 78.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.076 -1.015 . . . . 0.0 109.257 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.11 -39.94 91.86 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.298 -0.876 . . . . 0.0 110.109 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.33 -40.6 94.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.79 -40.76 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.09 -39.98 85.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.57 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.87 -18.0 62.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.815 -0.553 . . . . 0.0 110.277 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -94.1 -38.11 11.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.805 -1.184 . . . . 0.0 109.051 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.45 131.82 51.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 108.791 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -78.38 -33.01 49.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.557 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -70.31 -40.1 74.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.979 -1.076 . . . . 0.0 110.407 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.9 m -86.25 -1.87 57.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.999 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.5 tp-100 -69.66 -58.79 3.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.86 -1.15 . . . . 0.0 109.657 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.691 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -99.46 142.24 31.19 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.813 0.816 . . . . 0.0 111.458 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 5' ' ' ILE . 96.7 m-20 -60.11 -38.47 83.1 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -12.36 0.15 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.54 ' H ' ' C ' ' B' ' 3' ' ' ASP . 43.0 mt -59.99 -38.21 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.438 -1.036 . . . . 0.0 109.029 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 52.4 t0 -59.84 -37.8 80.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 108.802 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -65.64 -36.49 83.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 109.439 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.82 72.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.609 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.99 -41.45 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.009 -1.057 . . . . 0.0 109.419 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.56 -40.09 90.33 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.245 -0.91 . . . . 0.0 110.086 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -92.94 7.57 43.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.175 -0.953 . . . . 0.0 110.441 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -50.27 -47.34 55.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.818 -1.176 . . . . 0.0 108.964 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.57 -40.04 90.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.588 -0.695 . . . . 0.0 110.233 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.16 -0.962 . . . . 0.0 110.049 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -85.79 -11.85 52.43 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 59.39 -134.41 0.88 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.745 . . . . 0.0 110.602 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.37 1.05 54.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.468 -0.77 . . . . 0.0 110.351 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.37 77.93 7.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.092 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.95 -26.09 63.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.148 -0.97 . . . . 0.0 110.222 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.96 -40.14 88.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.03 -1.044 . . . . 0.0 110.238 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.25 93.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 108.927 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.8 ttm -60.14 -45.55 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.508 -0.745 . . . . 0.0 109.532 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.99 -44.13 91.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.451 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -63.65 -39.98 95.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.0 110.492 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.04 -40.12 75.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.076 -1.015 . . . . 0.0 110.947 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.95 0.06 51.35 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.985 -1.072 . . . . 0.0 109.184 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 53.66 50.08 17.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.328 -0.857 . . . . 0.0 110.197 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -120.15 152.73 54.93 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.538 -0.726 . . . . 0.0 109.041 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 150.83 45.5 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.061 1.841 . . . . 0.0 112.018 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.01 -23.82 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.399 2.066 . . . . 0.0 113.166 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.86 -50.59 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.861 -1.149 . . . . 0.0 110.412 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.91 -40.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.056 -1.027 . . . . 0.0 109.234 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.64 -40.05 90.54 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.53 -40.27 94.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 109.977 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.14 -40.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.41 -40.05 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -62.71 -19.16 63.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.824 -0.548 . . . . 0.0 110.213 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -93.07 -38.13 11.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.023 -1.048 . . . . 0.0 109.29 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -60.31 132.04 52.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.21 -0.931 . . . . 0.0 108.686 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -78.38 -33.02 49.15 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.229 -0.919 . . . . 0.0 110.609 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -70.41 -40.02 74.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 110.408 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -86.32 -2.11 58.11 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.065 -1.022 . . . . 0.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 68.3 tp60 -69.25 -59.06 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.869 -1.144 . . . . 0.0 109.514 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -102.06 140.04 36.88 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.553 0.692 . . . . 0.0 110.803 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 5' ' ' ILE . 56.7 t0 -60.04 -40.0 87.86 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.05 -9.98 0.26 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 3' ' ' ASP . 30.4 mt -59.97 -32.27 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -1.116 . . . . 0.0 108.634 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 89.0 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.161 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.27 85.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.525 -0.734 . . . . 0.0 109.508 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -33.64 69.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.907 . . . . 0.0 109.857 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.021 -1.049 . . . . 0.0 109.796 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' A' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.46 86.11 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.955 -1.091 . . . . 0.0 110.057 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -89.95 1.23 56.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 110.232 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -40.06 39.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.0 109.401 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.07 -39.63 86.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 109.438 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 68.6 mttm -63.23 -36.82 84.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 0.0 110.162 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -85.92 -19.38 30.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.924 -1.11 . . . . 0.0 109.556 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 31.3 m80 58.04 -134.5 1.07 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.401 -0.812 . . . . 0.0 109.778 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -84.51 -5.4 59.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 110.468 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -80.33 81.28 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.863 -1.148 . . . . 0.0 109.78 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -70.0 -23.8 63.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.17 -0.956 . . . . 0.0 109.154 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.4 -40.07 89.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 0.0 109.798 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.72 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.3 ttm -60.72 -49.05 79.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 109.615 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.37 -38.39 71.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.158 -0.964 . . . . 0.0 110.194 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.08 -1.013 . . . . 0.0 110.843 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.56 -39.89 73.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.941 -1.1 . . . . 0.0 110.732 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.59 -4.55 47.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.104 -0.998 . . . . 0.0 109.441 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.8 m120 52.19 49.4 20.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 0.0 110.189 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 mt -116.74 161.27 33.02 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.452 -0.78 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -70.62 160.7 48.58 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.422 1.415 . . . . 0.0 110.924 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.42 -20.45 33.03 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.198 1.932 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -50.1 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.326 -0.859 . . . . 0.0 110.141 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.27 -44.81 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 111.147 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.847 -1.158 . . . . 0.0 109.96 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.06 -39.98 87.89 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.291 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.77 -40.16 96.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 110.5 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 36' ' ' ILE . 96.7 mt -60.38 -41.57 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.28 -40.05 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.536 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.58 -22.09 63.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.457 -0.777 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 m -91.91 -38.38 12.33 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.928 -1.107 . . . . 0.0 109.406 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.4 t -59.55 127.71 33.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -78.43 -27.09 46.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.08 -40.64 64.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.956 -1.09 . . . . 0.0 110.104 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -86.2 -1.23 57.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.068 . . . . 0.0 109.905 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.9 tp-100 -70.09 -59.97 2.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.112 -0.992 . . . . 0.0 110.451 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.247 -0.908 . . . . 0.0 109.593 -179.524 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 70.4 mt -102.08 140.04 36.89 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.571 -0.705 . . . . 0.0 110.798 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 5' ' ' ILE . 56.7 t0 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.94 -10.16 0.26 Allowed Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.544 ' H ' ' C ' ' B' ' 3' ' ' ASP . 30.1 mt -59.91 -32.34 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -1.117 . . . . 0.0 108.634 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 89.1 m-20 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.184 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.41 85.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.421 -0.799 . . . . 0.0 109.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.26 -33.75 69.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.837 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.03 -44.72 94.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.977 -1.077 . . . . 0.0 109.829 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' B' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.47 86.14 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.003 -1.061 . . . . 0.0 110.062 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -89.98 1.44 56.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.87 -40.07 41.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.026 -1.046 . . . . 0.0 109.46 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.419 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 68.7 mttm -63.08 -36.76 84.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 110.226 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -85.99 -19.4 30.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.881 -1.137 . . . . 0.0 109.559 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 31.4 m80 58.08 -134.44 1.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.731 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.6 m -84.57 -5.29 59.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.35 81.18 6.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.143 . . . . 0.0 109.806 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -69.95 -23.85 63.26 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.168 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -40.07 89.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.848 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.53 94.98 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.245 -0.909 . . . . 0.0 108.949 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.3 ttm -60.75 -49.16 78.6 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.343 -0.848 . . . . 0.0 109.565 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.23 -38.45 71.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -0.961 . . . . 0.0 110.233 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.63 88.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.02 -1.05 . . . . 0.0 110.78 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.57 -39.93 73.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.982 -1.074 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -94.55 -4.53 47.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.105 -0.997 . . . . 0.0 109.472 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 52.11 49.35 20.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.87 . . . . 0.0 110.167 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 mt -116.68 161.31 32.72 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.433 -0.792 . . . . 0.0 109.098 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.6 160.62 48.85 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.389 1.392 . . . . 0.0 110.834 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.39 -20.51 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.147 1.898 . . . . 0.0 111.047 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.198 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.24 -44.48 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.966 -1.084 . . . . 0.0 111.144 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.65 80.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.79 -1.194 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.12 -39.87 87.77 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.341 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.96 -39.98 96.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.43 -41.66 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.781 -1.2 . . . . 0.0 108.062 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.23 -40.07 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.3 63.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.579 -0.701 . . . . 0.0 109.986 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -91.68 -38.42 12.43 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.925 -1.11 . . . . 0.0 109.5 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.47 127.72 33.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 108.51 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -78.51 -26.95 46.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 110.373 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.17 -40.55 64.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.834 -1.166 . . . . 0.0 110.159 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.3 m -86.27 -1.33 57.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 109.921 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.99 -60.09 2.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.074 -1.016 . . . . 0.0 110.446 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 -179.429 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -99.33 140.02 34.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.537 -0.727 . . . . 0.0 110.857 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.14 -39.9 87.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.4 -12.35 0.18 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -59.93 -35.56 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.272 -1.134 . . . . 0.0 108.642 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.9 -40.08 87.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.22 -39.13 93.75 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.26 79.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.01 -41.82 92.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 109.158 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.74 -39.95 93.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.414 -0.804 . . . . 0.0 110.03 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.96 1.88 56.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.317 -0.864 . . . . 0.0 110.611 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -50.66 -42.15 56.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.907 -1.121 . . . . 0.0 109.187 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.78 -38.67 86.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.346 -0.847 . . . . 0.0 109.603 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 50.4 tptt -59.93 -40.04 87.58 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.423 -0.798 . . . . 0.0 109.598 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.14 -14.52 43.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.993 -1.067 . . . . 0.0 109.761 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.7 0.95 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.252 -0.905 . . . . 0.0 110.229 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m -84.9 -2.46 57.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.476 -0.765 . . . . 0.0 110.005 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.82 72.39 6.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.69 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.88 -26.17 64.06 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.811 . . . . 0.0 108.984 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.49 -40.11 90.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.305 -0.872 . . . . 0.0 109.596 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.92 -44.88 79.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.627 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.87 -40.42 97.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.96 84.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 50.4 m -68.65 -35.26 77.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.458 -0.776 . . . . 0.0 110.223 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.16 -42.93 75.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.98 . . . . 0.0 109.458 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.68 -0.04 56.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.492 -0.755 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 51.16 49.95 20.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.116 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -116.98 152.29 48.53 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.582 -0.699 . . . . 0.0 109.12 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.03 152.05 45.48 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.002 1.802 . . . . 0.0 112.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.4 -25.75 0.3 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.507 2.138 . . . . 0.0 113.524 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -50.18 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 0.0 110.398 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.31 -41.74 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.101 -0.999 . . . . 0.0 109.841 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.04 83.49 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.19 -0.944 . . . . 0.0 109.06 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -60.28 -40.12 89.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.083 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -64.26 -40.19 95.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.428 -0.795 . . . . 0.0 110.299 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.53 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.11 -40.07 82.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.58 -18.98 34.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.716 -0.615 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -92.22 -46.68 7.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 0.0 108.744 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -59.93 128.12 35.27 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.96 -26.15 40.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.001 -1.062 . . . . 0.0 110.447 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.38 -44.74 50.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.066 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.28 -26.16 42.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.6 tt0 -74.85 -64.99 0.93 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.13 . . . . 0.0 109.517 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 108.942 179.757 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.46 140.02 34.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.547 -0.72 . . . . 0.0 110.867 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' B' ' 5' ' ' ILE . 97.1 m-20 -60.11 -39.88 87.74 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.39 -12.28 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.535 ' H ' ' C ' ' B' ' 3' ' ' ASP . 49.8 mt -59.91 -35.63 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.375 -1.074 . . . . 0.0 108.647 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.13 -39.24 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.3 79.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.589 -0.695 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.03 -41.68 92.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.104 -0.997 . . . . 0.0 109.139 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -40.06 93.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.421 -0.799 . . . . 0.0 110.077 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.87 1.86 56.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.563 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -50.66 -42.23 56.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 0.0 109.153 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.67 -38.58 85.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.291 -0.881 . . . . 0.0 109.706 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 50.4 tptt -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 109.518 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.09 -14.53 44.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.732 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' B' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.62 0.95 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.128 -0.983 . . . . 0.0 110.244 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -84.94 -2.37 57.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.322 -0.861 . . . . 0.0 110.028 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -79.78 72.23 6.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.055 . . . . 0.0 108.81 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.75 -26.17 64.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.384 -0.823 . . . . 0.0 109.021 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.58 -40.13 90.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.87 79.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 109.696 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.4 ttp -62.78 -40.47 97.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.636 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.01 84.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.919 -1.113 . . . . 0.0 109.166 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 50.0 m -68.55 -35.44 77.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.487 -0.758 . . . . 0.0 110.142 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -68.92 -43.02 76.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.66 -0.03 56.26 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.9 m120 51.2 49.95 20.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -116.98 152.15 48.35 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.435 -0.79 . . . . 0.0 109.104 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.95 152.1 45.96 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.01 1.807 . . . . 0.0 111.949 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.52 -25.79 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.604 2.203 . . . . 0.0 113.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -50.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.902 -1.124 . . . . 0.0 110.42 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.16 -41.59 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.125 -0.984 . . . . 0.0 109.972 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.94 83.97 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -60.51 -39.93 89.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.341 -0.849 . . . . 0.0 109.043 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -40.14 95.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.255 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.68 -40.06 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.28 -40.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.0 34.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.746 -0.596 . . . . 0.0 109.699 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -92.16 -46.78 7.58 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 108.71 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.03 128.13 35.31 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.01 -26.08 39.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.026 -1.046 . . . . 0.0 110.4 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.31 -44.77 51.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.969 -1.082 . . . . 0.0 110.094 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.29 -26.16 42.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 110.368 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -74.8 -65.28 0.89 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.915 -1.116 . . . . 0.0 109.514 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 108.871 179.799 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.0 139.62 34.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.378 -0.826 . . . . 0.0 110.779 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 5' ' ' ILE . 27.0 p-10 -60.54 -40.07 90.23 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -48.98 -10.65 0.14 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.533 ' H ' ' C ' ' A' ' 3' ' ' ASP . 35.2 mt -59.93 -32.12 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.23 -1.159 . . . . 0.0 108.516 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.92 -39.92 87.09 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' CB ' ' HZ1' ' A' ' 7' ' ' LYS . 8.1 ttpm? -64.45 -39.03 93.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 109.222 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.68 69.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.05 -40.6 89.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.941 -1.099 . . . . 0.0 109.008 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.3 -39.3 86.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.543 -0.723 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.96 0.97 56.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.207 -0.933 . . . . 0.0 110.128 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.58 -47.42 57.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.133 -0.979 . . . . 0.0 109.089 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 43.3 mp0 -60.37 -39.23 86.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.0 108.9 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.1 tttt -61.22 -39.81 91.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.205 -0.935 . . . . 0.0 109.017 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.88 -15.68 43.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.928 . . . . 0.0 109.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 30.8 m80 58.07 -136.02 0.98 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.419 -0.8 . . . . 0.0 109.902 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -84.61 -2.29 57.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.802 . . . . 0.0 110.017 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.36 80.2 6.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.077 -1.015 . . . . 0.0 109.639 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.47 -23.51 62.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.945 . . . . 0.0 109.842 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.61 -41.74 95.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.149 -0.969 . . . . 0.0 110.268 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.16 90.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.363 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttm -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.297 -0.877 . . . . 0.0 109.287 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.52 -40.62 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 110.056 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -67.28 -39.64 86.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.7 -40.86 76.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.143 -0.973 . . . . 0.0 110.661 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -98.44 1.28 46.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.336 -0.852 . . . . 0.0 109.337 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.1 m120 52.39 47.88 23.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 110.153 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -114.36 154.41 46.43 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.45 -0.781 . . . . 0.0 109.218 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.39 159.95 48.07 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.102 1.868 . . . . 0.0 111.31 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.53 -24.8 23.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 112.356 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.79 -50.24 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.1 -1.0 . . . . 0.0 110.448 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.67 -43.42 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 111.127 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.17 74.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.849 -1.157 . . . . 0.0 109.713 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.22 -39.96 88.5 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.404 -0.81 . . . . 0.0 109.129 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.01 -40.05 94.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.568 -0.708 . . . . 0.0 110.032 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 36' ' ' ILE . 83.7 mt -60.13 -41.9 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.84 -1.162 . . . . 0.0 108.279 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -40.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.42 -21.17 63.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.69 -0.631 . . . . 0.0 109.954 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -88.64 -45.18 10.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.236 -0.915 . . . . 0.0 109.528 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.1 t -58.72 126.18 26.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.155 -0.965 . . . . 0.0 108.617 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -77.33 -24.59 50.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.054 -1.029 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -72.46 -40.13 67.23 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.695 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.17 1.53 52.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.056 -1.028 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.6 tp-100 -77.63 -70.18 0.49 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -0.984 . . . . 0.0 108.725 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 109.093 179.422 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -98.95 139.94 33.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -0.879 . . . . 0.0 110.789 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' B' ' 5' ' ' ILE . 26.1 p-10 -60.9 -39.82 90.74 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -49.12 -10.84 0.17 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.541 ' H ' ' C ' ' B' ' 3' ' ' ASP . 35.2 mt -59.85 -31.77 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -1.094 . . . . 0.0 108.78 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.32 -39.81 88.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.437 ' CB ' ' HZ1' ' B' ' 7' ' ' LYS . 8.1 ttpm? -64.34 -39.49 93.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.489 -0.757 . . . . 0.0 109.154 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.21 69.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 109.566 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.92 -40.17 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.101 -1.0 . . . . 0.0 109.058 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.79 -39.1 87.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.293 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.97 0.66 56.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.151 -0.968 . . . . 0.0 109.96 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -50.4 -47.33 56.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.131 -0.981 . . . . 0.0 109.278 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 45.8 mp0 -60.3 -39.29 86.43 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.27 -0.894 . . . . 0.0 109.163 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.2 tttt -61.22 -39.63 90.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 0.0 109.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -85.12 -16.07 41.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.309 -0.869 . . . . 0.0 108.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 32.8 m80 58.36 -135.93 0.94 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.564 -0.71 . . . . 0.0 109.861 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -84.45 -2.43 57.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.064 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.24 80.24 6.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 109.71 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -70.73 -23.22 62.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.077 -1.014 . . . . 0.0 109.713 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.77 -41.78 96.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.898 . . . . 0.0 110.156 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.17 90.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.8 ttm -60.76 -44.37 96.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.244 -0.91 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.84 -40.3 88.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 0.0 109.872 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -67.42 -39.7 85.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.234 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.01 -40.75 75.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 110.515 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.2 1.41 47.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.6 m120 52.59 47.47 24.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 110.106 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -114.0 154.25 46.07 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.425 -0.797 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.86 159.95 49.16 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.058 1.839 . . . . 0.0 111.25 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.76 -24.49 23.67 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.529 2.153 . . . . 0.0 112.261 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -50.24 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.067 -1.02 . . . . 0.0 110.392 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.55 -43.54 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.982 -1.074 . . . . 0.0 111.113 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.12 74.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.108 . . . . 0.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.21 -40.02 88.64 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.434 -0.792 . . . . 0.0 109.101 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.08 -40.04 94.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.84 . . . . 0.0 110.0 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 36' ' ' ILE . 85.0 mt -60.17 -42.31 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.924 -1.11 . . . . 0.0 108.297 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -21.68 64.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.546 -0.721 . . . . 0.0 109.973 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -88.41 -44.77 10.51 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.306 -0.871 . . . . 0.0 109.595 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.13 126.34 27.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.937 -1.102 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.33 -24.47 50.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.946 -1.096 . . . . 0.0 109.871 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -72.52 -39.91 67.22 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.069 -1.019 . . . . 0.0 109.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.61 1.6 53.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 109.648 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 53.9 tp60 -77.58 -70.28 0.48 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.028 -1.045 . . . . 0.0 108.523 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.488 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.506 0.67 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.4 mt -99.21 142.47 30.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.466 -0.771 . . . . 0.0 110.25 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 86.0 m-20 -60.04 -39.5 86.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.36 -15.56 0.25 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.964 -1.655 . . . . 0.0 108.964 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 69.4 mt -60.48 -40.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.318 -1.107 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.31 -39.95 94.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.782 . . . . 0.0 108.944 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.92 -35.48 78.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.796 . . . . 0.0 109.046 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.2 76.24 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.217 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.08 -42.96 95.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.038 -1.039 . . . . 0.0 109.062 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.56 -39.96 93.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.449 -0.782 . . . . 0.0 110.071 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -92.34 1.09 57.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.273 -0.892 . . . . 0.0 110.647 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -49.35 -44.53 44.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.907 -1.121 . . . . 0.0 109.361 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.354 -0.841 . . . . 0.0 109.486 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 80.3 tttt -62.57 -38.41 89.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 110.63 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.5 -10.99 57.98 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.839 -1.163 . . . . 0.0 110.034 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 25.1 m80 59.01 -137.19 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 109.717 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -87.63 1.43 53.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.872 . . . . 0.0 110.085 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 76.11 9.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.16 -25.9 63.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.807 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.07 -40.77 90.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.692 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.79 82.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 109.017 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -62.27 -41.77 98.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.378 -0.826 . . . . 0.0 109.771 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.49 -39.81 81.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.98 . . . . 0.0 109.122 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.81 -38.66 86.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.435 -0.791 . . . . 0.0 110.036 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.98 -39.93 75.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.11 -0.02 50.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.102 -0.999 . . . . 0.0 108.922 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.4 m120 53.58 47.42 23.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.398 -0.814 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' PRO . 45.2 mt -119.58 121.98 29.58 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.519 -0.738 . . . . 0.0 109.867 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 28' ' ' LEU . 71.4 Cg_exo -47.37 178.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.322 1.348 . . . . 0.0 111.485 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -64.93 -21.56 63.82 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.346 2.03 . . . . 0.0 113.339 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.46 -60.53 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.854 -1.154 . . . . 0.0 110.424 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.21 -40.66 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.581 -0.699 . . . . 0.0 110.54 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.76 84.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.968 -1.083 . . . . 0.0 109.378 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.482 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.03 -40.4 95.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 0.0 110.491 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.52 -40.72 85.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.99 -40.1 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.83 -18.66 60.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.749 -0.594 . . . . 0.0 110.362 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -94.26 -37.78 11.35 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.858 -1.151 . . . . 0.0 110.054 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.02 134.55 57.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.041 -1.037 . . . . 0.0 108.848 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.49 -32.7 48.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.8 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -71.24 -41.13 70.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.018 -1.051 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -84.99 5.66 28.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.023 -1.048 . . . . 0.0 109.7 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.5 tp-100 -77.42 -70.11 0.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.162 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 108.757 179.709 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.535 0.683 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.64 142.44 31.12 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.636 -0.665 . . . . 0.0 110.284 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' B' ' 5' ' ' ILE . 86.3 m-20 -59.93 -39.63 86.17 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.13 -16.06 0.23 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 3' ' ' ASP . 68.9 mt -60.12 -40.03 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.447 -1.031 . . . . 0.0 108.318 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.44 -39.91 94.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.448 -0.783 . . . . 0.0 109.022 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.68 -35.77 79.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.187 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.1 75.86 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.421 -0.8 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.91 -42.99 95.09 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.0 93.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.441 -0.787 . . . . 0.0 110.125 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.34 1.07 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.231 -0.918 . . . . 0.0 110.561 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -49.14 -44.81 42.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.153 . . . . 0.0 109.402 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.03 -39.08 84.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.371 -0.831 . . . . 0.0 109.496 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.428 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 80.3 tttt -62.55 -38.53 90.41 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.504 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -83.33 -11.21 57.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.851 -1.156 . . . . 0.0 110.032 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 24.5 m80 59.1 -137.55 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.659 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.9 m -87.31 1.24 53.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.457 -0.777 . . . . 0.0 110.151 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 75.92 9.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.05 -25.92 63.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.132 -0.98 . . . . 0.0 109.841 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.88 . . . . 0.0 109.725 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.59 82.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.298 -0.876 . . . . 0.0 108.971 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -62.38 -41.69 98.84 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.461 -0.774 . . . . 0.0 109.786 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.46 -40.01 81.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.168 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.5 -39.05 88.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 0.0 110.073 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.68 -40.1 76.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.085 -1.009 . . . . 0.0 110.282 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -96.01 0.05 51.18 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 108.969 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.3 m120 53.49 47.75 23.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 29' ' ' PRO . 45.0 mt -119.98 121.91 29.33 Favored Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.509 -0.744 . . . . 0.0 109.695 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' B' ' 28' ' ' LEU . 72.0 Cg_exo -47.36 178.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.501 1.467 . . . . 0.0 111.438 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.96 -21.5 63.76 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.308 2.005 . . . . 0.0 113.421 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.46 -60.78 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.0 -40.49 78.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.57 -0.706 . . . . 0.0 110.638 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.72 84.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 109.456 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.207 -0.933 . . . . 0.0 109.354 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.04 -40.27 95.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.38 -0.825 . . . . 0.0 110.416 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.57 -40.84 85.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.911 -1.118 . . . . 0.0 108.039 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.86 -40.08 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.59 60.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.694 -0.629 . . . . 0.0 110.468 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.1 m -94.23 -37.92 11.3 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.866 -1.146 . . . . 0.0 110.061 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.79 134.73 57.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.108 -0.995 . . . . 0.0 108.81 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.7 -32.82 47.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.24 -40.78 70.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.937 -1.102 . . . . 0.0 110.1 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.29 5.57 29.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.766 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -77.32 -69.94 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.191 -0.943 . . . . 0.0 109.168 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 108.704 179.82 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.44 32.14 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.946 0.879 . . . . 0.0 111.308 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' A' ' 5' ' ' ILE . 96.2 m-20 -59.99 -35.93 76.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 -10.96 0.25 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 3' ' ' ASP . 32.1 mt -60.0 -40.01 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.481 -1.011 . . . . 0.0 108.983 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.01 -39.66 86.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.63 -39.23 90.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.346 -0.846 . . . . 0.0 109.283 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.18 73.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 0.0 109.916 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.93 -40.08 87.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.84 -40.11 91.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.275 -0.891 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.87 8.94 44.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.894 . . . . 0.0 110.862 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.09 -44.34 51.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.701 -1.249 . . . . 0.0 108.934 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.09 -38.98 84.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -0.813 . . . . 0.0 109.617 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.344 -0.848 . . . . 0.0 110.263 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.92 -18.92 31.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.125 . . . . 0.0 109.602 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 57.06 -125.34 1.82 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.009 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -86.24 -5.72 59.13 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 110.575 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -77.92 69.43 4.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.827 -1.171 . . . . 0.0 109.288 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.95 -20.13 63.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.12 -0.987 . . . . 0.0 108.578 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.46 -39.96 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 109.116 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.87 90.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.416 -0.803 . . . . 0.0 108.956 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.7 ttm -59.97 -48.51 81.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 21.1 t -66.16 -37.95 86.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 110.084 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -70.01 -39.96 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.466 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.08 -0.02 42.69 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 9.1 m120 53.19 48.88 21.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.53 151.52 49.84 Favored Pre-proline 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 109.228 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.1 154.64 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.108 1.872 . . . . 0.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -41.13 -24.3 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.777 2.318 . . . . 0.0 113.971 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -50.01 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.884 -1.135 . . . . 0.0 110.597 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.2 -41.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.11 -0.993 . . . . 0.0 111.247 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.47 75.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.792 -1.193 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.04 -39.94 87.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.56 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.085 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 36' ' ' ILE . 96.5 mt -60.82 -43.91 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.937 -1.102 . . . . 0.0 108.75 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.29 -38.08 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.22 -24.87 65.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.64 -0.662 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.87 -30.04 16.38 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.658 -1.276 . . . . 0.0 110.219 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.41 134.99 57.51 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.973 -1.079 . . . . 0.0 108.498 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.05 -27.05 48.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -74.24 -40.04 62.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.1 -1.0 . . . . 0.0 109.912 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.28 -1.27 56.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.111 -0.993 . . . . 0.0 110.342 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.7 tp-100 -68.53 -54.71 15.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.958 -1.089 . . . . 0.0 109.667 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.327 -0.858 . . . . 0.0 109.87 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.52 32.02 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.905 0.86 . . . . 0.0 111.277 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 5' ' ' ILE . 96.6 m-20 -59.97 -36.14 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.35 -11.1 0.23 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.545 ' H ' ' C ' ' B' ' 3' ' ' ASP . 32.1 mt -59.94 -40.03 81.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.587 -0.949 . . . . 0.0 108.95 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.98 -39.8 86.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.395 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.5 -39.24 90.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.407 -0.808 . . . . 0.0 109.246 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.05 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.0 109.882 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.04 -40.08 88.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.965 -1.085 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.86 -40.06 91.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 0.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.86 8.94 44.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.323 -0.861 . . . . 0.0 110.844 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -50.29 -44.23 53.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.778 -1.201 . . . . 0.0 108.986 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.497 -0.752 . . . . 0.0 109.729 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 110.216 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -85.77 -19.02 31.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.869 -1.144 . . . . 0.0 109.615 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.15 -125.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.79 . . . . 0.0 110.009 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -86.42 -5.84 59.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.238 -0.914 . . . . 0.0 110.483 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -77.76 69.42 4.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.298 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -69.91 -20.21 63.37 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.257 -0.902 . . . . 0.0 108.574 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -60.48 -40.0 89.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.101 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.86 91.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 108.898 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttm -60.06 -48.62 80.97 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.367 -0.833 . . . . 0.0 109.404 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.57 -40.04 86.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.858 . . . . 0.0 109.491 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.413 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 21.4 t -66.38 -37.81 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -69.98 -40.09 75.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.376 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.03 0.07 43.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.28 -0.888 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.1 m120 53.13 48.86 21.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 110.285 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.59 151.45 49.82 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 121.339 -0.851 . . . . 0.0 109.264 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.1 154.61 57.37 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.163 1.909 . . . . 0.0 112.015 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.97 -24.54 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.799 2.333 . . . . 0.0 113.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -49.86 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.871 -1.143 . . . . 0.0 110.505 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.08 -41.28 45.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.048 -1.033 . . . . 0.0 111.274 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.47 75.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.882 -1.136 . . . . 0.0 109.974 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -59.97 -39.96 87.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.585 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.06 -40.25 88.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -0.873 . . . . 0.0 109.949 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.79 -43.73 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.979 -1.076 . . . . 0.0 108.781 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.32 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.72 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.704 -0.622 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.89 -29.86 16.47 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.679 -1.263 . . . . 0.0 110.281 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.61 134.92 57.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 108.436 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.99 -27.01 48.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.015 -1.053 . . . . 0.0 109.965 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -74.22 -39.98 62.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.975 . . . . 0.0 109.898 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.23 -1.46 56.95 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.131 -0.98 . . . . 0.0 110.381 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.41 -54.61 16.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.964 -1.085 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.887 179.89 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.0 mt -114.71 142.7 46.15 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 121.65 0.738 . . . . 0.0 110.469 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.1 m-20 -60.04 -39.13 84.89 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -13.16 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 54.6 mt -60.14 -36.42 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.348 -1.089 . . . . 0.0 108.53 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -60.03 -40.04 87.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.97 -39.86 95.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.72 77.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.478 -0.763 . . . . 0.0 109.939 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.97 -41.1 91.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.08 . . . . 0.0 108.75 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -36.94 85.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.443 -0.786 . . . . 0.0 109.973 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.89 1.27 57.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.161 -0.962 . . . . 0.0 110.723 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.41 -45.97 36.76 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.823 -1.173 . . . . 0.0 109.46 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.27 -40.03 88.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 109.737 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.5 tttt -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -0.976 . . . . 0.0 109.843 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.83 -10.22 58.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.985 -1.072 . . . . 0.0 109.229 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.8 m80 59.32 -140.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.14 -1.21 54.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.199 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.99 74.51 6.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 0.0 108.93 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -69.99 -25.35 63.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.301 -0.874 . . . . 0.0 109.778 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.71 -40.5 92.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.424 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.41 84.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.95 -46.17 91.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.376 -0.827 . . . . 0.0 109.375 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.27 -40.81 82.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.008 -1.058 . . . . 0.0 109.508 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -64.5 -38.82 92.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.865 . . . . 0.0 110.101 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.29 -39.95 78.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.46 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.01 0.04 51.15 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.2 -0.937 . . . . 0.0 109.091 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.3 m120 51.63 47.84 24.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.34 -0.85 . . . . 0.0 110.393 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.3 153.15 44.17 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 66.3 Cg_endo -73.34 147.28 41.49 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.039 1.826 . . . . 0.0 111.734 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.49 -24.38 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.307 2.005 . . . . 0.0 112.951 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -59.99 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.816 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.32 -41.44 50.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.77 68.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -0.965 . . . . 0.0 109.501 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.14 -39.96 88.15 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.146 -0.971 . . . . 0.0 109.16 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.58 96.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.827 . . . . 0.0 110.043 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.54 -40.58 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.01 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.77 -20.43 49.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.692 -0.63 . . . . 0.0 109.846 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -87.99 -44.36 11.06 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 109.228 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.1 129.88 44.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.244 -0.91 . . . . 0.0 108.666 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -77.76 -24.69 48.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.118 -0.989 . . . . 0.0 110.005 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -77.92 -48.7 15.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.14 -0.975 . . . . 0.0 111.111 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.9 m -77.97 -29.76 49.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.054 -1.029 . . . . 0.0 110.81 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.0 tt0 -69.91 -55.34 9.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.845 -1.159 . . . . 0.0 109.668 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.162 -0.962 . . . . 0.0 108.984 179.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.9 mt -114.76 142.7 46.18 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.617 0.722 . . . . 0.0 110.509 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 5' ' ' ILE . 89.2 m-20 -60.03 -39.09 84.7 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -13.27 0.27 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' B' ' 3' ' ' ASP . 55.2 mt -60.04 -36.38 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.336 -1.097 . . . . 0.0 108.568 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -63.23 -39.66 95.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.54 77.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.386 -0.822 . . . . 0.0 109.909 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.16 -40.97 91.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.917 -1.114 . . . . 0.0 108.796 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.85 85.11 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.906 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.99 1.47 57.29 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.239 -0.913 . . . . 0.0 110.694 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 t -48.49 -46.08 37.76 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 109.497 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.413 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.5 tttt -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.884 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -83.98 -10.07 58.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.994 -1.066 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.9 m80 59.35 -140.23 0.69 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.595 -0.69 . . . . 0.0 110.093 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.24 -1.25 54.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.0 74.43 6.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 108.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.04 -25.37 63.52 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.377 -0.827 . . . . 0.0 109.728 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.44 91.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.495 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.31 84.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.01 -46.07 92.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.364 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.43 -40.66 83.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.051 -1.031 . . . . 0.0 109.435 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -64.57 -38.98 92.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.052 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.13 -40.03 78.52 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.0 110.451 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.95 0.05 51.36 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.111 -0.993 . . . . 0.0 109.15 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.3 m120 51.43 47.86 24.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.44 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -111.33 153.23 44.16 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' B' ' 31' ' ' VAL . 66.1 Cg_endo -73.35 147.28 41.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.145 1.897 . . . . 0.0 111.802 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -40.58 -24.24 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.386 2.057 . . . . 0.0 112.876 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.2 t -59.94 -50.05 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.09 -1.006 . . . . 0.0 109.84 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.41 -41.36 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.76 68.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 109.51 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.7 97.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.521 -0.737 . . . . 0.0 109.893 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.56 -40.53 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.13 -40.03 85.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -20.44 48.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.66 -0.65 . . . . 0.0 109.86 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -87.91 -44.7 10.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 109.187 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.7 t -58.81 129.95 44.61 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 108.672 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -77.92 -24.7 48.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.064 -1.022 . . . . 0.0 109.971 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -77.9 -48.58 16.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.135 -0.978 . . . . 0.0 111.18 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.8 m -78.09 -29.81 49.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.007 -1.058 . . . . 0.0 110.837 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.69 -55.67 9.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.958 -1.089 . . . . 0.0 109.78 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.0 108.956 179.841 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.32 144.13 26.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.587 0.708 . . . . 0.0 110.6 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.1 87.88 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.68 -14.68 0.41 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' ASP . 67.9 mt -59.98 -43.17 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.24 -1.153 . . . . 0.0 108.488 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.8 -40.07 96.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.94 -39.86 95.12 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.57 71.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.97 -42.39 94.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.17 -40.0 92.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.513 -0.742 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.4 7.22 43.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.315 -0.866 . . . . 0.0 110.197 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.78 -39.94 53.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.062 -1.024 . . . . 0.0 109.231 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.63 -39.0 86.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.387 -0.821 . . . . 0.0 110.505 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.15 -40.04 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.19 -13.02 39.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.933 -1.105 . . . . 0.0 109.522 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 58.58 -135.39 0.94 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -86.66 0.02 55.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 109.795 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 80.46 6.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.965 -1.085 . . . . 0.0 109.216 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.96 -26.38 64.08 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.505 -0.747 . . . . 0.0 109.684 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.1 -41.75 93.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.146 -0.971 . . . . 0.0 110.151 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.84 81.32 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 109.21 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.2 ttp -62.36 -43.66 98.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.916 . . . . 0.0 109.525 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.42 -40.44 86.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -63.24 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.927 . . . . 0.0 109.947 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.17 -40.04 74.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.73 0.04 52.01 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.231 -0.918 . . . . 0.0 109.681 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.8 m120 50.9 44.99 28.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 mt -110.66 115.03 54.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.514 -0.741 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' VAL . 85.8 Cg_exo -46.8 149.76 2.96 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.468 1.445 . . . . 0.0 111.472 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -39.81 -19.87 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.541 2.16 . . . . 0.0 113.409 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.3 t -60.03 -53.49 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 110.915 -178.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.11 -37.85 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 110.43 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.47 89.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.822 -1.174 . . . . 0.0 108.528 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.36 -40.0 89.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.504 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.897 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -61.01 -40.73 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.166 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.3 -40.03 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.51 56.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.529 -0.732 . . . . 0.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -87.18 -47.52 8.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.132 -0.98 . . . . 0.0 108.92 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.94 126.37 27.14 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.11 -26.16 47.87 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.176 -0.952 . . . . 0.0 109.873 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.24 -43.93 48.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.166 -0.959 . . . . 0.0 110.646 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.74 -28.75 33.18 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.966 -1.083 . . . . 0.0 110.918 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.01 -57.49 4.94 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.834 -1.166 . . . . 0.0 110.355 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.111 -0.993 . . . . 0.0 109.122 -179.694 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.14 144.24 25.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.499 -0.751 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.24 88.34 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -14.61 0.39 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' ASP . 67.1 mt -60.03 -43.04 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.0 108.495 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.95 -40.01 96.38 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.78 -39.93 95.46 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -34.68 71.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.652 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.18 -39.93 92.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.537 -0.727 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.42 7.37 43.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.27 -0.893 . . . . 0.0 110.203 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.78 -40.08 54.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.015 . . . . 0.0 109.166 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.51 -39.14 86.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.11 -40.06 92.35 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 0.0 110.391 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.15 -12.67 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 109.615 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 58.45 -135.34 0.96 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.86 . . . . 0.0 109.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -86.57 -0.13 55.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -0.84 . . . . 0.0 109.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.06 80.71 6.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.957 -1.089 . . . . 0.0 109.09 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.03 -26.25 63.95 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.424 -0.798 . . . . 0.0 109.697 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 0.0 110.152 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.91 80.76 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.037 -1.04 . . . . 0.0 109.213 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.4 ttp -62.24 -43.9 97.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.503 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.24 -40.29 85.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 0.0 109.761 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -63.39 -39.98 95.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.933 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.27 -39.98 74.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -95.53 0.01 52.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.238 -0.914 . . . . 0.0 109.713 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.7 m120 50.81 44.96 27.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 109.692 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -110.59 114.99 54.38 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.784 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 84.9 Cg_exo -46.83 149.68 3.03 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.473 1.449 . . . . 0.0 111.478 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -39.64 -20.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.554 2.17 . . . . 0.0 113.444 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 70.4 t -60.04 -53.34 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.874 -1.141 . . . . 0.0 110.977 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.19 -37.77 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.985 -1.072 . . . . 0.0 110.423 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.58 88.93 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.904 -1.122 . . . . 0.0 108.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.26 -40.04 88.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.465 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.01 -40.34 97.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.451 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.93 -40.93 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 120.932 -1.105 . . . . 0.0 108.098 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.21 -39.99 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.567 -0.708 . . . . 0.0 109.649 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -87.33 -47.48 8.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.131 -0.981 . . . . 0.0 108.832 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -57.91 126.31 26.89 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -77.96 -26.23 48.64 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.87 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.41 -43.67 48.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 0.0 110.697 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.4 m -81.86 -28.79 32.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 110.903 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.01 -57.54 4.88 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.034 -179.815 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.9 mt -102.44 139.71 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 5' ' ' ILE . 61.5 t0 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -12.46 0.14 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.528 ' H ' ' C ' ' A' ' 3' ' ' ASP . 39.2 mt -59.75 -31.81 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.347 -1.09 . . . . 0.0 108.233 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.68 -37.72 88.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.19 -0.944 . . . . 0.0 108.628 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.91 74.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 109.286 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 109.069 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.83 -39.97 91.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.429 -0.795 . . . . 0.0 109.978 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -90.06 1.63 56.13 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -49.32 -45.35 45.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.86 -39.46 89.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.634 -0.666 . . . . 0.0 109.586 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 109.386 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.25 -12.78 54.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -0.982 . . . . 0.0 109.513 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 57.42 -137.37 0.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.379 -0.825 . . . . 0.0 109.771 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m -83.55 -3.28 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.821 . . . . 0.0 109.654 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.81 76.56 6.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.98 -25.95 63.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.425 -0.797 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -40.12 93.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -0.918 . . . . 0.0 109.776 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.74 83.1 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.4 ttp -62.21 -41.86 98.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.956 . . . . 0.0 109.206 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.83 -39.9 78.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.169 -0.957 . . . . 0.0 109.18 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.09 -38.69 88.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.176 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -69.54 -43.85 72.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.699 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -91.56 -0.77 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.301 -0.874 . . . . 0.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m120 51.5 50.09 19.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.888 . . . . 0.0 110.111 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -119.45 152.01 52.27 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.439 -0.788 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 160.56 49.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 0.0 111.102 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.93 -24.04 23.14 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.03 -50.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.956 -1.09 . . . . 0.0 109.899 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.81 -42.61 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 0.0 109.928 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.83 72.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.553 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.38 -40.01 92.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.378 -0.826 . . . . 0.0 110.091 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.054 -1.029 . . . . 0.0 108.448 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.76 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.28 -24.05 62.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.644 -0.66 . . . . 0.0 110.555 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -93.93 -31.99 14.07 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.908 -1.12 . . . . 0.0 109.626 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.78 130.44 46.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.104 -0.998 . . . . 0.0 109.208 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.07 -38.68 63.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 111.199 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -70.85 -41.89 70.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.961 -1.087 . . . . 0.0 110.789 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -83.16 8.88 11.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.783 -1.198 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.5 tp-100 -77.85 -69.99 0.51 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.891 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.895 . . . . 0.0 109.179 -179.33 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.4 139.78 37.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.586 -0.696 . . . . 0.0 110.956 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' B' ' 5' ' ' ILE . 60.8 t0 -59.97 -39.95 87.38 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.79 -12.58 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.524 ' H ' ' C ' ' B' ' 3' ' ' ASP . 40.1 mt -59.71 -31.82 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.32 -1.106 . . . . 0.0 108.293 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.66 -37.9 89.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.292 -0.88 . . . . 0.0 108.693 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.82 74.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 109.235 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.01 -40.22 88.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.85 -40.01 91.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.474 -0.767 . . . . 0.0 110.011 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -89.98 1.75 55.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 110.131 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.38 -45.38 45.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.037 -1.039 . . . . 0.0 109.086 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.79 -39.44 88.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.566 -0.709 . . . . 0.0 109.591 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.252 -0.905 . . . . 0.0 109.37 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -84.24 -12.85 54.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.085 -1.01 . . . . 0.0 109.508 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 57.41 -137.34 0.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.75 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -83.6 -3.1 57.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.676 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.04 76.46 6.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.274 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.4 -40.2 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.766 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.8 83.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.335 -0.853 . . . . 0.0 109.464 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.5 ttp -62.08 -41.96 98.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.23 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -39.9 78.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 0.0 109.262 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.2 -38.56 88.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.439 -0.788 . . . . 0.0 110.128 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -69.62 -43.71 72.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 109.778 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.71 -0.68 57.57 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.412 -0.805 . . . . 0.0 109.31 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.4 m120 51.48 49.89 20.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 mt -119.39 152.04 52.16 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.411 -0.805 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.0 160.56 49.19 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.215 1.943 . . . . 0.0 111.081 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.0 -24.03 23.46 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.618 2.212 . . . . 0.0 112.744 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.94 -50.12 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.924 -1.11 . . . . 0.0 109.911 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.69 -42.67 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.881 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.72 72.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.165 -0.959 . . . . 0.0 109.742 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.43 -40.04 92.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.365 -0.835 . . . . 0.0 110.114 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.1 -40.09 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.054 -1.029 . . . . 0.0 108.424 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.72 -40.02 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.4 -23.9 62.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.551 -0.718 . . . . 0.0 110.562 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.3 m -93.91 -32.05 14.05 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.927 -1.108 . . . . 0.0 109.542 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.65 130.34 46.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 109.158 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -74.11 -38.66 63.76 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.84 . . . . 0.0 111.159 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -70.76 -41.92 71.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.948 -1.095 . . . . 0.0 110.822 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.02 8.69 12.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.738 -1.226 . . . . 0.0 109.508 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -77.76 -70.05 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.256 -0.902 . . . . 0.0 109.811 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.129 -179.266 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.22 144.57 26.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.613 0.72 . . . . 0.0 110.593 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.9 m-20 -59.88 -40.08 87.46 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 178.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -19.59 0.29 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' ASP . 82.7 mt -60.23 -40.65 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.398 -1.06 . . . . 0.0 108.358 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -60.03 -40.12 88.22 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -64.92 -39.41 93.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.548 -0.72 . . . . 0.0 109.126 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.67 79.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 0.0 109.822 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.0 -43.31 95.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.039 -1.038 . . . . 0.0 109.863 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.1 -39.9 87.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.89 11.51 33.52 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.277 -0.889 . . . . 0.0 110.539 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.8 -39.94 40.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.006 . . . . 0.0 109.439 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 98.9 mt-10 -60.09 -39.29 85.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 63.2 tttp -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.967 . . . . 0.0 109.934 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -86.21 -17.52 34.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.951 -1.093 . . . . 0.0 109.494 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 27.3 m80 58.67 -137.63 0.83 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.115 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -83.98 -3.03 57.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.032 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.67 76.92 8.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.915 -1.115 . . . . 0.0 109.477 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.56 -17.11 61.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.214 -0.928 . . . . 0.0 109.536 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG3' ' A' ' 20' ' ' ARG . 20.0 mmm-85 -60.04 -49.62 76.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.0 109.093 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.6 97.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.548 -0.72 . . . . 0.0 109.27 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -61.48 -46.71 88.85 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.307 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.13 -39.97 84.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.058 -1.026 . . . . 0.0 109.64 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -66.74 -37.76 85.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 0.0 110.153 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.084 -1.01 . . . . 0.0 109.619 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -95.15 -0.11 53.66 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.8 m120 50.86 49.11 21.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.255 -0.903 . . . . 0.0 110.139 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.48 152.25 46.87 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 121.385 -0.822 . . . . 0.0 109.422 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.93 160.15 50.69 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.117 1.878 . . . . 0.0 110.56 178.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.09 -20.88 20.04 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.406 2.071 . . . . 0.0 111.55 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.02 -55.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.034 -1.041 . . . . 0.0 110.139 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -72.57 -42.1 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.253 -0.905 . . . . 0.0 110.406 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.79 72.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 0.0 109.686 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -60.07 -40.06 88.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.264 -0.897 . . . . 0.0 109.336 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.67 -40.5 92.34 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.473 -0.767 . . . . 0.0 110.145 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.07 -43.45 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.038 -1.039 . . . . 0.0 108.463 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.74 -39.97 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -19.67 45.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.695 -0.628 . . . . 0.0 110.295 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -91.76 -41.98 10.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.95 -1.093 . . . . 0.0 109.322 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -59.4 129.95 44.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.224 -0.922 . . . . 0.0 108.667 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.3 -36.0 61.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.276 -0.89 . . . . 0.0 110.793 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.74 -43.31 69.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.009 . . . . 0.0 110.956 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.23 -30.39 38.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.86 -1.15 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -72.63 -60.03 2.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.823 -1.173 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.084 -1.01 . . . . 0.0 109.481 -179.61 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.732 0.777 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -96.17 144.46 26.38 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.654 0.74 . . . . 0.0 110.529 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.2 m-20 -60.03 -39.92 87.53 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.62 -19.59 0.31 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' ASP . 82.6 mt -60.14 -40.84 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.37 -1.077 . . . . 0.0 108.279 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.0 -39.49 93.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.551 -0.718 . . . . 0.0 109.117 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.58 79.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.792 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.06 -43.06 95.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 109.872 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.25 -40.01 88.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 0.0 110.257 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.87 11.55 33.34 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.303 -0.873 . . . . 0.0 110.538 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -49.68 -40.04 38.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.013 -1.054 . . . . 0.0 109.51 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 98.8 mt-10 -60.04 -39.41 85.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.288 -0.883 . . . . 0.0 109.876 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.478 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 63.2 tttp -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.972 -179.04 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -86.29 -17.43 34.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 26.9 m80 58.61 -137.84 0.83 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.434 -0.791 . . . . 0.0 110.089 179.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -84.02 -2.97 57.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.934 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.54 76.79 8.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.981 -1.074 . . . . 0.0 109.415 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.64 -16.94 61.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 109.546 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' B' ' 20' ' ' ARG . 20.0 mmm-85 -60.4 -49.49 77.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.009 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -41.6 97.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.498 -0.751 . . . . 0.0 109.236 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.9 ttp -61.54 -46.62 89.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.1 -40.06 84.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.951 -1.093 . . . . 0.0 109.689 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -66.78 -37.71 85.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 110.108 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -69.15 -39.85 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.117 -0.989 . . . . 0.0 109.699 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -95.19 -0.09 53.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.9 m120 50.72 49.38 21.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.65 152.3 47.11 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.06 160.08 50.9 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.208 1.939 . . . . 0.0 110.443 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.1 -20.87 20.06 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.322 2.015 . . . . 0.0 111.558 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.94 -55.47 23.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 110.17 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.53 -41.83 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.263 -0.898 . . . . 0.0 110.44 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.81 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.957 . . . . 0.0 109.591 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.0 109.387 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.59 -40.53 92.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.488 -0.757 . . . . 0.0 110.165 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.07 -43.58 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.102 . . . . 0.0 108.439 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.78 -39.92 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.96 -19.65 45.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.845 -0.534 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -91.84 -42.07 10.28 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.957 -1.09 . . . . 0.0 109.283 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.6 t -59.45 129.73 43.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 108.586 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.15 -36.19 61.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.307 -0.87 . . . . 0.0 110.775 -179.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.57 -43.0 70.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.0 110.981 -178.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 76.1 m -80.63 -30.32 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.649 -1.282 . . . . 0.0 110.525 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.59 -59.99 2.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.678 -1.264 . . . . 0.0 110.432 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 -179.607 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.73 137.77 37.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 111.18 -178.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.6 m-20 -60.63 -39.44 88.24 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.28 -13.73 0.14 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 44.1 mt -58.69 -31.25 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -59.99 -40.12 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.04 -37.71 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.765 . . . . 0.0 108.985 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -37.17 77.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.819 . . . . 0.0 109.474 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -39.47 86.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.566 -0.709 . . . . 0.0 109.766 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -93.54 3.01 56.22 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.212 -0.93 . . . . 0.0 110.672 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.96 -47.22 52.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.73 -1.231 . . . . 0.0 109.066 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.17 -39.37 86.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.464 -0.772 . . . . 0.0 109.429 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 1.2 tmtp? -60.18 -40.03 88.56 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.278 -0.888 . . . . 0.0 109.782 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.12 -13.44 52.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.058 -1.027 . . . . 0.0 108.831 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.1 m80 58.46 -134.42 1.01 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 110.11 179.322 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.83 -7.64 59.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.263 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.71 76.87 6.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.02 -1.05 . . . . 0.0 109.797 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.28 -27.01 64.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.866 . . . . 0.0 109.83 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -60.03 -40.0 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.009 -1.057 . . . . 0.0 109.817 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 108.807 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -62.12 -43.92 97.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.343 -0.848 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.99 84.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.129 -0.982 . . . . 0.0 109.389 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -65.34 -38.43 90.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.34 -0.85 . . . . 0.0 109.911 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.87 -40.21 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.163 -0.96 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -92.7 -1.27 56.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.105 -0.997 . . . . 0.0 109.179 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.11 48.81 21.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.521 -0.737 . . . . 0.0 110.734 179.024 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.6 151.4 48.31 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.15 152.91 56.87 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.953 1.769 . . . . 0.0 112.105 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.65 -24.83 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.45 2.1 . . . . 0.0 113.02 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.74 -50.15 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.991 -1.068 . . . . 0.0 110.229 -178.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.2 -40.94 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.864 -1.147 . . . . 0.0 109.632 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.88 67.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.258 -0.902 . . . . 0.0 109.436 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.05 -39.66 86.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.135 -0.978 . . . . 0.0 109.517 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.51 -40.13 93.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.252 -0.905 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.49 -41.35 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.907 -1.121 . . . . 0.0 108.522 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.51 -39.94 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.51 -18.71 31.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.673 -0.642 . . . . 0.0 110.174 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -91.33 -44.75 8.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.849 -1.157 . . . . 0.0 108.908 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.39 127.09 30.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.0 108.86 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.86 -25.83 44.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.685 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.12 -41.67 61.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.786 -1.196 . . . . 0.0 110.375 -179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.29 -28.19 34.75 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.152 -0.968 . . . . 0.0 111.119 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.04 -58.46 3.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.152 . . . . 0.0 110.286 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.024 -1.048 . . . . 0.0 109.529 179.901 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.7 mt -99.43 137.73 37.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 111.227 -178.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.8 m-20 -60.73 -39.4 88.51 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.109 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.12 -13.73 0.12 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 179.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 44.5 mt -58.83 -31.17 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.13 -39.99 88.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -65.2 -37.91 88.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.34 77.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 109.505 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.21 -39.88 88.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.177 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.547 -0.721 . . . . 0.0 109.768 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.42 3.02 56.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.182 -0.949 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.9 -47.18 52.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.873 -1.142 . . . . 0.0 109.088 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.29 -39.38 86.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.376 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.456 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 1.3 tmtp? -60.13 -39.87 87.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.299 -0.875 . . . . 0.0 109.781 -179.659 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.2 -13.58 52.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.003 . . . . 0.0 108.854 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.456 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.2 m80 58.56 -134.5 0.99 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.476 -0.765 . . . . 0.0 110.092 179.281 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.81 -7.37 59.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.444 -0.785 . . . . 0.0 110.338 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.99 77.0 6.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.751 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -70.46 -26.88 63.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.431 -0.793 . . . . 0.0 109.826 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -60.04 -40.04 88.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.68 79.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 108.754 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -62.34 -43.98 97.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.222 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.1 83.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.163 -0.96 . . . . 0.0 109.449 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -65.2 -38.59 90.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.926 . . . . 0.0 109.925 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.102 -0.999 . . . . 0.0 110.545 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.46 -1.14 57.2 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.027 -1.046 . . . . 0.0 109.24 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 52.96 48.87 21.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.78 179.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.58 151.42 48.32 Favored Pre-proline 0 N--CA 1.501 2.124 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.26 152.98 56.36 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.994 1.796 . . . . 0.0 111.996 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.73 -24.71 0.28 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.511 2.141 . . . . 0.0 113.158 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.86 -50.03 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.02 -1.05 . . . . 0.0 110.07 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.29 -40.89 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.995 -1.066 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.68 68.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 109.4 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.033 -1.042 . . . . 0.0 109.411 178.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.08 -40.21 92.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.283 -0.886 . . . . 0.0 110.528 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.21 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.526 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.6 -39.92 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -19.0 32.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.766 -0.584 . . . . 0.0 110.212 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.4 m -91.31 -44.81 8.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.857 -1.152 . . . . 0.0 108.931 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.4 127.44 31.77 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.277 -0.889 . . . . 0.0 108.723 179.041 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -79.25 -25.56 42.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.962 -1.086 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.32 -41.36 61.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 110.398 -179.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.37 -28.36 34.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.068 -1.02 . . . . 0.0 111.122 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.93 -58.55 3.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.828 -1.17 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.079 -1.013 . . . . 0.0 109.475 179.876 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.492 0.663 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -98.65 140.89 32.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.583 -0.698 . . . . 0.0 110.911 -178.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.0 m-20 -59.89 -39.21 84.58 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.515 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 -14.74 0.12 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' ASP . 46.1 mt -60.03 -34.21 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.409 -1.053 . . . . 0.0 108.487 178.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.94 -39.87 87.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.63 -39.96 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.528 -0.732 . . . . 0.0 109.262 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -37.26 78.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.527 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.95 -42.24 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.061 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -39.97 92.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.76 5.52 51.37 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.13 -0.981 . . . . 0.0 110.489 -178.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -49.35 -39.99 33.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 60.2 mm-40 -60.64 -39.95 90.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.947 . . . . 0.0 109.652 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.2 tttm -60.4 -39.48 87.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.281 -0.887 . . . . 0.0 109.739 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -84.55 -16.54 41.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 22.6 m80 58.44 -135.36 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.328 -0.858 . . . . 0.0 110.144 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 m -84.87 -0.78 55.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.131 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.54 73.2 8.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 109.926 -179.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.93 . . . . 0.0 109.168 179.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.13 -40.37 89.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.88 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.72 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.259 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.84 -40.05 93.98 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.505 -0.747 . . . . 0.0 109.667 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.47 -41.74 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 0.0 109.647 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -65.49 -39.74 92.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.463 -179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.05 -40.04 78.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.021 -1.049 . . . . 0.0 110.179 -179.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -94.99 -2.27 50.74 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.019 -1.051 . . . . 0.0 109.392 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.3 m-80 51.86 50.01 19.53 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.22 -0.925 . . . . 0.0 110.14 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -117.23 151.6 48.03 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.568 -0.707 . . . . 0.0 109.255 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.82 153.8 42.98 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.032 1.821 . . . . 0.0 112.214 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -42.19 -26.58 0.55 Allowed 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.71 2.273 . . . . 0.0 112.888 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.96 -49.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.976 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -76.74 -41.26 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 110.139 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.09 66.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.515 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.02 -40.01 87.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.3 -0.875 . . . . 0.0 109.477 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.87 -40.7 96.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.43 -40.44 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.0 -39.96 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.543 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.15 -17.83 43.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.707 -0.621 . . . . 0.0 110.674 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -96.91 -36.7 10.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.79 -1.194 . . . . 0.0 110.211 -178.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 t -59.13 131.67 51.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.061 -1.024 . . . . 0.0 109.222 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.52 -34.69 63.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.274 -0.891 . . . . 0.0 110.958 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.818 -1.176 . . . . 0.0 110.172 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -87.15 0.31 55.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.087 -1.008 . . . . 0.0 110.068 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -69.85 -60.04 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.564 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.316 -0.865 . . . . 0.0 109.613 -179.766 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -98.8 140.74 32.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.567 -0.708 . . . . 0.0 110.913 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.03 -39.0 84.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.5 -14.91 0.12 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.9 mt -60.01 -34.13 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.997 . . . . 0.0 108.535 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.31 -40.01 92.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.26 79.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.64 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.0 -42.25 93.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.082 -1.011 . . . . 0.0 109.016 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.02 92.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.355 -0.84 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.61 5.54 51.27 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.182 -0.949 . . . . 0.0 110.38 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -49.35 -40.39 35.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.828 -1.17 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 59.5 mm-40 -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.843 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.461 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.46 -39.45 87.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.717 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -84.3 -17.03 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.387 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 22.1 m80 58.84 -135.13 0.92 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.5 m -85.31 -0.83 55.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.388 -0.82 . . . . 0.0 110.212 -179.151 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.27 73.06 8.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.06 -1.025 . . . . 0.0 109.926 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -28.13 65.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.159 -0.963 . . . . 0.0 109.102 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.31 -40.3 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.26 80.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.261 -0.899 . . . . 0.0 109.162 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.0 ttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.665 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -41.54 85.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 109.656 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -65.88 -39.6 90.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 110.42 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.95 -40.06 79.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.091 -1.006 . . . . 0.0 110.137 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -95.1 -1.93 51.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.248 -0.907 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.6 m-80 51.5 50.05 19.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.171 -0.956 . . . . 0.0 110.203 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 mt -116.94 151.66 47.71 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.602 -0.686 . . . . 0.0 109.29 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.74 153.56 43.23 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.147 1.898 . . . . 0.0 112.206 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.08 -26.44 0.5 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.64 2.227 . . . . 0.0 113.07 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.01 -49.98 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -0.95 . . . . 0.0 109.927 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.84 -41.3 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.109 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.97 67.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.17 -39.83 87.78 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.298 -0.877 . . . . 0.0 109.534 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.07 -40.14 94.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 110.057 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.76 -40.3 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.99 -39.98 84.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.432 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -60.15 -18.24 46.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.652 -0.655 . . . . 0.0 110.581 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -96.41 -36.46 10.82 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.861 -1.149 . . . . 0.0 110.305 -178.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.56 131.67 51.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.956 -1.09 . . . . 0.0 109.152 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -74.36 -34.79 63.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.326 -0.859 . . . . 0.0 111.031 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.0 -40.09 75.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.827 -1.17 . . . . 0.0 110.035 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 45.1 m -87.0 -0.02 55.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.035 -1.041 . . . . 0.0 110.104 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -69.69 -60.06 2.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.929 -1.107 . . . . 0.0 109.56 -179.52 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.312 -0.867 . . . . 0.0 109.535 -179.681 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.84 143.12 32.13 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.833 0.825 . . . . 0.0 111.294 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 5' ' ' ILE . 91.4 m-20 -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 -12.92 0.23 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 3' ' ' ASP . 47.7 mt -60.98 -34.86 61.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.263 -1.139 . . . . 0.0 108.576 178.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.98 -39.25 85.06 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.02 -38.3 90.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.396 -0.815 . . . . 0.0 108.952 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.49 79.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.366 -0.834 . . . . 0.0 109.967 -179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.08 -40.92 91.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.193 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.46 -39.95 89.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.013 -1.054 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.06 1.49 57.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.175 -0.953 . . . . 0.0 110.698 -178.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.89 -43.13 28.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.843 -1.161 . . . . 0.0 109.691 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.03 -40.03 94.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.96 -39.93 93.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.41 -13.39 49.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.055 -1.028 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.74 -136.17 1.01 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.502 -0.749 . . . . 0.0 110.521 179.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 0.14 52.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.04 79.54 7.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.07 -25.12 63.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.503 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.36 73.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.231 -0.918 . . . . 0.0 109.152 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -61.34 -45.22 95.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.376 -0.827 . . . . 0.0 109.349 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 109.536 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -66.38 -37.69 85.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.519 -0.738 . . . . 0.0 109.815 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.87 -40.01 75.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.289 -0.882 . . . . 0.0 109.711 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.48 47.22 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.368 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 30.0 m120 51.15 47.66 24.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.241 -0.912 . . . . 0.0 110.34 179.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.38 131.1 22.76 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.291 -0.881 . . . . 0.0 109.77 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 96.1 Cg_exo -43.8 141.4 4.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.718 1.612 . . . . 0.0 111.931 179.025 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -39.77 -21.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.439 2.093 . . . . 0.0 113.083 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.99 -50.45 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.028 -1.045 . . . . 0.0 110.591 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.7 -41.14 62.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.858 -1.151 . . . . 0.0 110.485 -179.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.136 -0.977 . . . . 0.0 109.691 179.046 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.43 -40.41 94.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 110.187 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -40.51 83.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.17 -39.97 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.95 49.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.759 -0.588 . . . . 0.0 109.73 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -90.33 -45.6 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.123 -0.985 . . . . 0.0 108.674 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.98 126.86 29.17 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.82 -28.24 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.58 -42.95 57.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 -178.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.55 -24.37 39.31 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.08 -1.013 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.33 -48.77 66.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.829 -1.169 . . . . 0.0 110.214 -178.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' B' ' 45' ' ' LEU . 86.0 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.068 -1.02 . . . . 0.0 109.07 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.5 mt -101.88 143.13 32.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.783 0.802 . . . . 0.0 111.344 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 5' ' ' ILE . 91.5 m-20 -59.97 -37.24 79.01 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -12.91 0.22 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' B' ' 3' ' ' ASP . 47.5 mt -61.11 -34.75 61.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.375 -1.073 . . . . 0.0 108.556 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.97 -39.32 85.26 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -63.08 -37.92 89.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.491 -0.756 . . . . 0.0 109.01 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.66 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -0.841 . . . . 0.0 109.96 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.99 -40.94 90.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.162 -0.961 . . . . 0.0 110.214 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.5 -39.95 89.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.051 -1.031 . . . . 0.0 109.907 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.91 1.37 57.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.172 -0.955 . . . . 0.0 110.682 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.77 -43.17 27.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.825 -1.172 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.0 -40.05 94.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.897 . . . . 0.0 110.27 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.93 -40.01 94.02 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.059 -1.025 . . . . 0.0 110.021 -179.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.53 -13.06 50.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.01 -1.056 . . . . 0.0 109.778 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 57.6 -136.34 1.01 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.413 -0.804 . . . . 0.0 110.53 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 t -84.91 0.06 52.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.364 -0.835 . . . . 0.0 110.119 -179.04 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.07 79.64 7.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.998 -1.064 . . . . 0.0 109.31 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.1 -25.15 63.37 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.408 -0.808 . . . . 0.0 109.473 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.88 -42.08 93.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.855 . . . . 0.0 110.013 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 109.106 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.373 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 109.577 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -66.31 -37.96 86.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.739 . . . . 0.0 109.823 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.56 -39.99 77.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 0.0 109.798 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.44 47.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.217 -0.927 . . . . 0.0 109.363 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 51.09 47.72 24.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 179.374 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.39 131.16 22.73 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.407 -0.808 . . . . 0.0 109.783 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 31' ' ' VAL . 94.2 Cg_exo -43.88 141.27 4.36 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.791 1.661 . . . . 0.0 111.989 178.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.75 -21.62 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.409 2.073 . . . . 0.0 113.31 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.0 -50.11 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.955 -1.091 . . . . 0.0 110.562 -178.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.02 -41.49 59.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.002 -1.061 . . . . 0.0 110.487 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.02 71.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -39.98 87.44 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.17 -0.956 . . . . 0.0 109.757 178.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.42 -40.58 94.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 110.31 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.1 -40.46 83.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.14 -39.92 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 177.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.24 51.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.688 -0.632 . . . . 0.0 109.709 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -89.68 -45.91 9.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.047 -1.033 . . . . 0.0 108.647 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.82 126.94 29.53 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.87 -28.2 44.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 110.778 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.55 -42.86 58.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 110.833 -178.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -80.75 -24.28 38.8 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.973 -1.08 . . . . 0.0 111.032 -178.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.5 -48.57 66.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.896 -1.128 . . . . 0.0 110.231 -178.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 86.9 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 108.964 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.14 140.5 33.21 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.919 0.866 . . . . 0.0 111.256 -178.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 5' ' ' ILE . 57.8 t0 -59.89 -38.39 82.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 -12.39 0.39 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' H ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -60.36 -34.0 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.278 -1.131 . . . . 0.0 108.2 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.05 -38.16 81.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 109.025 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.63 -39.65 94.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.389 -0.82 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.93 82.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.248 -0.908 . . . . 0.0 109.386 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.99 -41.51 92.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.163 -0.96 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.72 -40.0 95.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.83 7.85 45.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.902 . . . . 0.0 110.357 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -48.87 -41.63 33.92 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.906 -1.122 . . . . 0.0 108.964 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -34.74 74.41 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.609 -0.682 . . . . 0.0 109.358 179.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.073 -1.017 . . . . 0.0 110.289 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.43 -17.31 29.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.027 -1.046 . . . . 0.0 109.76 -179.511 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.57 -126.74 1.71 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.597 -0.689 . . . . 0.0 110.384 179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 m -88.43 -0.32 57.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.78 72.42 7.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.922 -1.111 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -69.92 -27.38 64.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.231 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.92 -44.49 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.0 109.792 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.03 84.31 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.996 -1.065 . . . . 0.0 108.467 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -61.44 -47.84 83.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.065 178.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.71 -40.12 86.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.246 -0.909 . . . . 0.0 109.057 179.692 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -68.29 -32.09 72.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.499 -0.751 . . . . 0.0 109.303 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.89 -41.81 74.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 108.716 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -95.06 -2.03 50.97 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.7 m120 52.82 42.2 31.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.301 179.334 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.26 126.63 28.84 Favored Pre-proline 0 N--CA 1.504 2.272 0 O-C-N 121.217 -0.927 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.49 153.63 1.14 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.715 1.61 . . . . 0.0 112.252 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.38 -21.9 0.5 Allowed 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.505 2.137 . . . . 0.0 113.606 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.0 -59.52 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.832 -1.167 . . . . 0.0 109.933 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.5 t -69.96 -41.47 79.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.307 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.045 -1.034 . . . . 0.0 109.509 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.17 -39.97 88.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 108.785 179.239 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.64 -41.28 97.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.476 -0.765 . . . . 0.0 110.437 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.12 -41.56 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.948 -1.095 . . . . 0.0 108.111 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.36 -40.09 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.86 -17.75 57.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.66 -0.65 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -93.73 -39.56 10.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.884 -1.135 . . . . 0.0 109.832 -179.064 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.1 132.75 54.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.026 -1.046 . . . . 0.0 108.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -75.87 -35.56 59.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.334 -0.854 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.81 -40.07 76.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.917 -1.114 . . . . 0.0 109.911 -178.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.2 m -85.41 -2.78 58.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.045 . . . . 0.0 110.059 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -65.7 -50.2 65.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.986 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.122 -0.987 . . . . 0.0 109.0 179.683 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.41 140.27 33.85 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.916 0.865 . . . . 0.0 111.175 -178.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 5' ' ' ILE . 57.8 t0 -59.97 -38.29 82.07 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.074 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.44 -12.42 0.34 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.502 ' H ' ' C ' ' B' ' 3' ' ' ASP . 50.1 mt -60.32 -34.25 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -1.171 . . . . 0.0 108.179 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.84 -38.31 81.7 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.405 -0.809 . . . . 0.0 108.984 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -62.41 -39.92 94.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.412 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.06 82.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.225 -0.922 . . . . 0.0 109.47 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.13 -41.2 92.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.069 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.82 -40.02 96.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.414 -0.804 . . . . 0.0 110.217 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.93 7.89 45.55 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.23 -0.919 . . . . 0.0 110.329 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.0 -41.43 34.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.846 -1.159 . . . . 0.0 108.929 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.76 -34.47 74.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.56 -0.712 . . . . 0.0 109.376 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.45 -39.93 95.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.28 -16.98 29.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.009 -1.057 . . . . 0.0 109.696 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.3 -127.01 1.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.6 -0.687 . . . . 0.0 110.388 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -88.05 -0.42 57.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -80.69 72.53 7.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.902 -1.124 . . . . 0.0 109.357 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -70.0 -27.26 64.55 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -44.52 94.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.741 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.85 85.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.036 -1.04 . . . . 0.0 108.527 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.78 -47.83 83.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.799 . . . . 0.0 109.016 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -40.28 86.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.885 . . . . 0.0 109.079 179.576 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -68.26 -32.02 71.9 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.381 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.88 -41.91 74.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.147 -0.971 . . . . 0.0 108.683 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -94.94 -2.18 51.03 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.5 m120 53.01 42.23 32.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.25 126.45 29.22 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.232 -0.918 . . . . 0.0 109.948 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.37 153.5 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.799 1.666 . . . . 0.0 112.228 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.32 -22.0 0.5 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.487 2.125 . . . . 0.0 113.496 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.75 -59.47 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.95 -1.093 . . . . 0.0 109.966 -178.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.04 -41.45 79.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.453 -0.779 . . . . 0.0 110.274 -179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.43 73.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.22 -39.93 88.36 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.324 -0.86 . . . . 0.0 108.822 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.9 -41.3 97.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.369 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.23 -41.47 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.948 -1.095 . . . . 0.0 108.119 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.35 -40.01 85.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.73 57.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.648 -0.658 . . . . 0.0 110.325 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -93.86 -39.82 10.5 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.056 -1.028 . . . . 0.0 109.791 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -59.95 132.73 54.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 108.986 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.76 -35.48 60.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.258 -0.901 . . . . 0.0 111.258 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -40.07 76.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.922 -1.111 . . . . 0.0 109.902 -178.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 34.5 m -85.53 -2.94 58.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.979 -1.076 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -65.49 -50.4 65.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.002 -1.061 . . . . 0.0 109.979 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.054 -1.029 . . . . 0.0 109.013 179.697 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.487 0.661 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.85 142.74 33.86 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.41 0.624 . . . . 0.0 110.257 -179.495 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.07 -38.33 82.52 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.161 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.02 -13.42 0.32 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' H ' ' C ' ' A' ' 3' ' ' ASP . 50.1 mt -60.83 -40.21 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -1.133 . . . . 0.0 108.552 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.1 -39.92 87.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.74 -39.11 93.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.19 76.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.773 . . . . 0.0 109.628 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.98 -40.55 89.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.018 -1.051 . . . . 0.0 108.896 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.03 -40.03 94.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 110.071 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.81 5.96 49.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -178.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.04 -44.21 41.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.856 -1.153 . . . . 0.0 109.313 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.78 -36.22 82.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.0 109.995 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.01 -14.78 46.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 58.73 -132.04 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 109.741 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -86.86 -0.56 56.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.285 -0.884 . . . . 0.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.95 78.32 6.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.95 -1.094 . . . . 0.0 109.443 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CZ2' ' NE ' ' A' ' 20' ' ' ARG . 64.3 p-90 -71.28 -20.96 62.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.171 -0.956 . . . . 0.0 109.34 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' NE ' ' CZ2' ' A' ' 19' ' ' TRP . 28.5 mmt180 -61.37 -40.1 93.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.188 -0.945 . . . . 0.0 109.618 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.95 93.98 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.321 -0.862 . . . . 0.0 108.988 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -59.92 -50.0 75.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.366 -0.834 . . . . 0.0 109.252 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.056 -1.028 . . . . 0.0 108.875 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.505 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 30.7 t -67.03 -37.23 83.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.716 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -69.99 -46.4 65.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.877 . . . . 0.0 109.928 -179.302 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.9 -0.82 50.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.366 -0.834 . . . . 0.0 109.882 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.5 m120 52.17 49.17 21.17 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.226 -0.921 . . . . 0.0 110.612 179.2 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.93 151.77 49.29 Favored Pre-proline 0 N--CA 1.507 2.416 0 O-C-N 121.25 -0.907 . . . . 0.0 110.163 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.43 159.55 10.48 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.704 1.603 . . . . 0.0 110.606 177.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.83 -19.8 40.8 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.392 2.061 . . . . 0.0 112.134 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.03 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.189 -0.944 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.44 -44.71 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.826 -1.171 . . . . 0.0 110.581 -178.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.73 -50.46 72.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.795 -1.19 . . . . 0.0 109.704 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.49 -39.97 89.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 110.267 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' CD ' ' HG ' ' A' ' 39' ' ' SER . 13.8 tm-20 -60.0 -42.38 94.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.234 -0.916 . . . . 0.0 110.2 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.88 -47.5 92.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 108.938 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.83 -45.52 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.076 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 110.299 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.447 ' HG ' ' CD ' ' A' ' 35' ' ' GLU . 46.0 m -96.06 -20.98 18.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.919 -1.113 . . . . 0.0 110.246 -179.076 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.37 139.92 56.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.932 -1.105 . . . . 0.0 108.739 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.77 -39.92 66.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.245 -0.909 . . . . 0.0 111.053 -178.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -70.06 -40.02 75.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.919 -1.113 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.4 7.29 17.19 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.758 -1.214 . . . . 0.0 109.378 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -75.17 -67.64 0.63 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.342 -0.849 . . . . 0.0 109.898 -179.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.758 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.548 0.689 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.82 142.81 33.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.628 -0.67 . . . . 0.0 110.243 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' B' ' 5' ' ' ILE . 98.4 m-20 -59.97 -38.44 82.54 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.114 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -13.24 0.33 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.496 ' H ' ' C ' ' B' ' 3' ' ' ASP . 50.9 mt -60.79 -40.27 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -1.141 . . . . 0.0 108.54 178.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -40.06 88.22 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.62 -39.1 92.73 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.1 76.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.408 -0.807 . . . . 0.0 109.573 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -40.5 89.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.046 -1.034 . . . . 0.0 108.926 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.0 -40.11 94.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.375 -0.828 . . . . 0.0 110.013 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.69 5.93 50.02 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.253 -0.904 . . . . 0.0 110.609 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.13 -44.23 42.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -36.19 82.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -178.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.97 -14.87 46.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.972 -1.08 . . . . 0.0 109.531 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 58.73 -131.98 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.845 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -86.85 -0.63 56.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 110.058 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.0 78.53 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 109.421 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . 0.515 ' CZ2' ' NE ' ' B' ' 20' ' ' ARG . 64.4 p-90 -71.42 -20.79 62.07 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.323 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NE ' ' CZ2' ' B' ' 19' ' ' TRP . 28.5 mmt180 -61.44 -40.17 93.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.925 . . . . 0.0 109.561 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.01 94.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -60.06 -49.93 75.71 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.401 -0.812 . . . . 0.0 109.24 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.55 -39.97 85.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.112 -0.992 . . . . 0.0 108.697 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 30.9 t -66.86 -37.36 84.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.726 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -70.0 -46.56 64.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 110.018 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.65 -0.9 51.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.372 -0.83 . . . . 0.0 109.887 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.5 m120 52.11 49.44 20.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.168 -0.958 . . . . 0.0 110.486 179.167 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -118.07 151.73 49.44 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.32 -0.862 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.43 159.54 10.49 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.631 1.554 . . . . 0.0 110.63 177.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.66 -19.96 40.12 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.331 2.021 . . . . 0.0 112.137 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -50.1 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.97 -179.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.41 -44.53 71.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.739 -1.226 . . . . 0.0 110.567 -178.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.65 71.6 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.797 -1.189 . . . . 0.0 109.681 -179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.34 -39.95 88.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 0.0 110.271 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.43 ' CD ' ' HG ' ' B' ' 39' ' ' SER . 13.7 tm-20 -60.01 -42.45 94.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.231 -0.918 . . . . 0.0 110.053 -179.02 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -61.8 -47.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.179 -0.951 . . . . 0.0 108.985 -179.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.95 -45.4 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.181 -0.949 . . . . 0.0 109.009 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.4 68.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.624 -0.673 . . . . 0.0 110.249 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.43 ' HG ' ' CD ' ' B' ' 35' ' ' GLU . 45.8 m -96.12 -20.96 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.988 -1.07 . . . . 0.0 110.28 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.31 139.89 56.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.889 -1.132 . . . . 0.0 108.763 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.66 -40.04 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.189 -0.944 . . . . 0.0 111.071 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.959 -1.088 . . . . 0.0 110.908 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -83.43 6.96 18.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 109.293 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -74.98 -67.17 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.164 -0.96 . . . . 0.0 109.938 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 109.363 -179.845 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.35 143.12 30.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.415 -0.803 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.12 -39.96 88.1 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.007 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.59 -10.88 0.42 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' H ' ' C ' ' A' ' 3' ' ' ASP . 51.4 mt -60.16 -38.61 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -1.153 . . . . 0.0 108.805 178.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.5 -38.91 85.85 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.45 76.81 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.472 -0.768 . . . . 0.0 110.233 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.93 -42.99 95.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.942 -1.099 . . . . 0.0 109.13 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.89 -38.73 89.43 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.502 -0.749 . . . . 0.0 109.914 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.55 5.74 50.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 110.726 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.31 -42.4 41.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 109.079 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.85 -36.93 80.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.395 -0.816 . . . . 0.0 110.024 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.882 . . . . 0.0 110.1 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -87.96 -12.35 44.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.912 -1.117 . . . . 0.0 108.656 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.49 -137.33 0.86 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.407 0.622 . . . . 0.0 110.442 179.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.3 p -81.3 -8.61 59.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.398 -0.814 . . . . 0.0 110.123 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.67 76.3 6.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 109.527 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -70.25 -23.31 62.88 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.243 -0.911 . . . . 0.0 109.334 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.38 -41.29 93.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.049 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.34 89.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.024 -1.047 . . . . 0.0 108.481 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.5 ttp -62.94 -45.32 93.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.418 -0.801 . . . . 0.0 109.303 179.258 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.44 -39.97 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.997 -1.064 . . . . 0.0 109.124 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 t -68.34 -35.73 78.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -0.763 . . . . 0.0 109.692 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -69.4 -42.95 74.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.325 -0.86 . . . . 0.0 109.706 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.61 -0.4 54.5 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.513 -0.742 . . . . 0.0 109.461 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.0 m120 52.39 49.94 19.4 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.247 -0.908 . . . . 0.0 110.495 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 mt -120.93 151.47 54.95 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.45 161.26 46.65 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.338 2.025 . . . . 0.0 111.89 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.0 -24.52 25.06 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.857 2.371 . . . . 0.0 112.45 -179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.99 -50.03 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.969 -1.082 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.0 -43.6 51.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.054 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.51 69.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.895 . . . . 0.0 109.716 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.01 -40.08 88.02 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.695 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.94 -40.09 91.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.66 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.21 -42.82 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 108.175 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.21 -39.69 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.345 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.7 -21.62 60.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.793 -0.567 . . . . 0.0 110.609 -179.666 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -95.13 -27.44 15.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.978 -1.076 . . . . 0.0 110.15 -178.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -60.1 139.9 57.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.97 -1.081 . . . . 0.0 108.586 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.49 -33.78 54.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.009 -1.057 . . . . 0.0 110.105 -179.304 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.52 -40.0 70.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 0.0 110.929 -178.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.4 m -81.26 -9.68 59.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.907 -1.121 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.7 tp-100 -68.96 -59.99 2.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.958 -1.089 . . . . 0.0 109.31 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.129 -0.982 . . . . 0.0 108.868 179.083 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -100.74 142.79 31.73 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.12 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' B' ' 5' ' ' ILE . 97.8 m-20 -60.02 -39.86 87.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.151 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 -11.29 0.41 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' B' ' 3' ' ' ASP . 51.3 mt -59.99 -38.63 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -1.133 . . . . 0.0 108.736 179.106 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.013 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -60.66 -38.67 85.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.55 77.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.504 -0.748 . . . . 0.0 110.25 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.98 -43.11 95.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.915 -1.116 . . . . 0.0 109.026 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.78 -38.36 87.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.99 6.36 48.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.281 -0.887 . . . . 0.0 110.765 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -49.69 -42.35 45.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.819 -1.176 . . . . 0.0 109.132 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.0 -36.81 80.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.922 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 0.0 110.158 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.88 -12.48 44.68 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 108.715 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.66 -137.31 0.85 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.684 -0.635 . . . . 0.0 110.377 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.4 p -81.48 -8.47 59.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.75 76.14 6.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.607 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -70.24 -22.96 62.84 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.61 -41.05 93.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.881 . . . . 0.0 109.957 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.19 88.41 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.431 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.15 -45.27 92.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.387 -0.821 . . . . 0.0 109.194 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.28 -40.17 77.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.04 -1.038 . . . . 0.0 109.196 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.32 -35.54 77.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.798 . . . . 0.0 109.645 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -69.39 -43.05 74.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.74 -0.15 54.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.566 -0.709 . . . . 0.0 109.532 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.9 m120 52.14 50.01 19.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.924 . . . . 0.0 110.401 179.212 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -120.97 151.28 54.79 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.22 160.97 47.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.397 2.064 . . . . 0.0 111.91 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.88 -24.47 24.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.802 2.335 . . . . 0.0 112.499 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.93 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.921 -1.112 . . . . 0.0 109.428 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.1 -43.79 50.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.49 69.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.237 -0.914 . . . . 0.0 109.694 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.93 -40.02 87.47 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.793 179.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.13 -40.03 92.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 109.661 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.87 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.127 . . . . 0.0 108.129 179.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.49 -39.45 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -21.44 61.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.796 -0.565 . . . . 0.0 110.574 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -95.35 -27.46 15.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.865 -1.147 . . . . 0.0 110.165 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -60.03 139.79 57.23 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.991 -1.068 . . . . 0.0 108.54 179.387 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -77.44 -33.76 54.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 0.0 110.178 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.48 -40.1 70.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.0 m -81.1 -9.46 59.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.932 -1.105 . . . . 0.0 110.555 -179.33 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.14 -60.16 2.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.831 -1.168 . . . . 0.0 109.397 -179.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 108.862 178.978 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.18 138.25 36.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.772 . . . . 0.0 111.054 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 5' ' ' ILE . 85.1 m-20 -59.92 -39.05 84.13 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.64 -11.73 0.17 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' H ' ' C ' ' A' ' 3' ' ' ASP . 47.4 mt -60.0 -32.28 49.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.426 -1.043 . . . . 0.0 108.343 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.84 -39.36 84.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.87 -39.7 95.24 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -38.71 82.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -42.14 93.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.916 -1.115 . . . . 0.0 109.208 -179.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.39 -40.03 89.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.407 -0.808 . . . . 0.0 110.13 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.24 0.86 57.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.885 . . . . 0.0 110.106 -178.62 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -49.67 -43.32 47.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 109.144 179.564 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.49 -40.06 89.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.427 -0.796 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 53.8 tptt -61.11 -39.91 91.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.888 . . . . 0.0 109.842 -179.103 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -87.31 -13.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.867 -1.146 . . . . 0.0 109.029 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 26.8 m80 58.99 -138.5 0.77 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.503 -0.748 . . . . 0.0 110.298 179.197 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -82.12 -3.79 55.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 110.395 -179.171 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.09 76.97 5.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.799 -1.188 . . . . 0.0 109.217 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.69 -26.08 63.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.382 -0.824 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.12 -41.23 92.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -0.854 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.65 80.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.311 -0.868 . . . . 0.0 109.262 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.9 ttp -61.68 -41.51 97.65 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 0.0 109.601 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.07 82.58 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.076 . . . . 0.0 109.424 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.0 m -65.17 -40.1 93.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.404 -0.81 . . . . 0.0 110.282 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.09 -39.91 75.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.068 -1.02 . . . . 0.0 110.918 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -94.46 -0.55 54.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 m120 51.6 50.04 19.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.444 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.13 151.71 45.96 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.496 -0.752 . . . . 0.0 109.342 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.3 Cg_endo -73.34 149.04 44.46 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.82 1.68 . . . . 0.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.96 -22.91 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.114 1.876 . . . . 0.0 112.61 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.26 -54.87 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.077 -1.015 . . . . 0.0 110.188 -179.322 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.86 -41.16 61.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.025 -1.047 . . . . 0.0 110.058 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.69 68.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.095 -1.003 . . . . 0.0 109.467 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -60.26 -39.85 88.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.147 -0.97 . . . . 0.0 109.261 178.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.13 -39.99 94.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 0.0 110.346 -179.282 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 36' ' ' ILE . 89.8 mt -60.43 -40.02 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.62 -40.12 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' C ' HE22 ' A' ' 44' ' ' GLN . . . -60.51 -16.69 39.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.839 -0.538 . . . . 0.0 110.27 -179.826 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -95.7 -38.26 10.43 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.012 -1.055 . . . . 0.0 109.974 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.55 135.37 57.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.083 -1.011 . . . . 0.0 109.02 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -78.17 -36.02 48.07 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.15 -0.969 . . . . 0.0 110.886 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -70.11 -40.13 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.151 -0.968 . . . . 0.0 110.891 -178.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.99 -8.44 59.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.905 -1.122 . . . . 0.0 109.924 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.8 tp-100 -69.16 -59.86 2.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.643 -179.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.474 -0.766 . . . . 0.0 109.572 -179.807 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.5 mt -99.16 138.16 36.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.53 -0.731 . . . . 0.0 110.976 -178.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.542 ' C ' ' H ' ' B' ' 5' ' ' ILE . 85.1 m-20 -60.11 -38.78 84.0 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.533 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.88 -11.63 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.191 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' B' ' 3' ' ' ASP . 47.9 mt -60.02 -32.08 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.34 -1.094 . . . . 0.0 108.361 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.95 -39.2 84.75 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.91 -39.89 95.92 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.81 81.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.407 -0.808 . . . . 0.0 110.265 -179.414 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.04 -42.2 93.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.034 -1.041 . . . . 0.0 109.192 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.47 -40.01 89.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -0.765 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.14 0.81 56.98 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.21 -0.931 . . . . 0.0 110.185 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -49.62 -43.32 46.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 109.168 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -60.53 -40.07 90.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.556 -0.715 . . . . 0.0 109.554 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 53.8 tptt -60.75 -40.18 91.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.377 -0.827 . . . . 0.0 109.771 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -87.21 -13.57 43.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.897 -1.127 . . . . 0.0 109.005 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 27.0 m80 59.24 -138.2 0.76 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.561 -0.712 . . . . 0.0 110.437 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 t -82.43 -3.81 56.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.281 -179.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.0 77.05 5.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.915 -1.116 . . . . 0.0 109.203 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.75 -26.44 63.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.417 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -41.08 91.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -45.89 79.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.211 -0.93 . . . . 0.0 109.121 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -61.57 -41.59 97.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.372 -0.83 . . . . 0.0 109.606 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.032 -1.043 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -65.2 -40.01 93.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.343 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.0 -40.25 75.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.736 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.37 -0.23 55.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.003 -1.061 . . . . 0.0 109.443 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m120 51.33 50.2 19.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 0.0 110.385 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -115.09 151.67 45.88 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.485 -0.759 . . . . 0.0 109.312 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 60.1 Cg_endo -73.33 149.03 44.48 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.88 1.72 . . . . 0.0 110.966 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.98 -22.64 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.96 1.773 . . . . 0.0 112.612 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -59.7 -54.89 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.943 -1.098 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.72 -40.84 61.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.84 -1.163 . . . . 0.0 110.002 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.78 68.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.086 -1.009 . . . . 0.0 109.433 -179.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 109.408 178.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -61.96 -39.96 93.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.92 . . . . 0.0 110.341 -179.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.36 -40.16 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.64 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -16.6 38.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.78 -0.575 . . . . 0.0 110.323 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -95.75 -38.36 10.37 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.013 -1.055 . . . . 0.0 109.885 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -60.47 135.31 57.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.102 -0.999 . . . . 0.0 109.21 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.23 -35.85 47.84 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.18 -0.95 . . . . 0.0 110.837 -179.234 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.26 -40.1 74.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.16 -0.963 . . . . 0.0 110.891 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -81.91 -8.46 59.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.865 -1.147 . . . . 0.0 109.927 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.528 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 63.4 tp60 -69.14 -59.45 3.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -1.0 . . . . 0.0 109.699 -179.355 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.37 -0.831 . . . . 0.0 109.46 -179.731 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.6 141.58 35.18 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.688 0.756 . . . . 0.0 111.297 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 5' ' ' ILE . 98.5 m-20 -60.09 -39.98 88.02 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.703 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.28 -13.17 0.22 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' ' 3' ' ' ASP . 45.1 mt -60.01 -35.54 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.36 -1.082 . . . . 0.0 108.403 178.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.93 -38.06 81.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.86 -40.11 94.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.289 -0.882 . . . . 0.0 108.985 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.47 78.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.427 -0.796 . . . . 0.0 109.757 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.03 -40.83 90.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.965 . . . . 0.0 109.575 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.96 89.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.987 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -98.22 9.81 42.08 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.21 -0.931 . . . . 0.0 110.439 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.56 -42.29 33.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.795 -1.191 . . . . 0.0 109.695 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 77.9 mm-40 -60.92 -35.49 76.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 0.0 109.731 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -60.09 -37.52 80.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.165 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.55 31.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.86 -1.15 . . . . 0.0 109.687 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 75.8 m-70 58.06 -134.07 1.1 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.345 -0.847 . . . . 0.0 110.012 179.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -82.4 -7.1 59.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.334 -0.854 . . . . 0.0 110.053 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 109.323 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -69.95 -25.1 63.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 0.0 109.473 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.19 89.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.268 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.87 89.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 109.017 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.9 ttp -60.61 -44.01 96.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.658 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.97 -40.58 89.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 109.448 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -66.65 -37.82 85.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.82 -42.84 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.52 -179.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -94.77 -2.49 50.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.49 -0.757 . . . . 0.0 109.307 179.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.6 m120 52.55 49.98 19.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.843 . . . . 0.0 110.636 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.06 152.49 50.44 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.501 -0.75 . . . . 0.0 109.196 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.85 160.98 47.68 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.316 2.01 . . . . 0.0 111.5 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.29 -21.5 29.26 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.476 2.117 . . . . 0.0 111.768 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 109.63 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.8 t -75.15 -44.27 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 110.271 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.98 83.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.46 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.98 -39.89 87.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.021 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.04 -40.02 96.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.45 -0.781 . . . . 0.0 110.199 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.12 -41.53 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.945 -1.097 . . . . 0.0 108.061 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.37 -40.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 177.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.61 51.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.615 -0.678 . . . . 0.0 109.511 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -87.02 -48.14 8.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.18 -0.95 . . . . 0.0 108.943 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.1 129.17 40.84 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.3 -30.5 48.4 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.13 -43.26 64.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.127 -0.983 . . . . 0.0 110.999 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.46 -22.62 43.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.731 -1.231 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.95 -49.48 61.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.847 -1.158 . . . . 0.0 110.041 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.159 -0.963 . . . . 0.0 109.043 -179.976 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.66 141.57 35.26 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.79 0.805 . . . . 0.0 111.247 -178.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' B' ' 5' ' ' ILE . 98.5 m-20 -60.07 -40.01 87.99 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.694 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.37 -13.2 0.23 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.504 ' H ' ' C ' ' B' ' 3' ' ' ASP . 45.0 mt -59.92 -35.6 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.363 -1.08 . . . . 0.0 108.307 178.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.84 -38.11 81.13 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.81 -40.14 94.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 0.0 109.013 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.36 78.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.01 -41.12 91.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.24 -39.93 88.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -98.33 9.83 42.13 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.295 -0.878 . . . . 0.0 110.433 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.52 -42.16 32.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.779 -1.2 . . . . 0.0 109.728 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 77.8 mm-40 -61.12 -35.29 76.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.22 -37.52 80.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 0.0 110.219 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.5 31.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.896 -1.127 . . . . 0.0 109.62 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 75.7 m-70 58.11 -134.05 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.235 -0.915 . . . . 0.0 109.97 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 t -82.37 -7.12 59.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.019 -1.051 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.02 -25.04 63.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -40.05 89.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 110.271 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.79 89.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 109.058 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.1 ttp -60.65 -44.02 96.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.429 -0.794 . . . . 0.0 109.674 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -40.54 89.54 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.097 -1.002 . . . . 0.0 109.358 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -66.72 -37.79 85.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.865 . . . . 0.0 110.185 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.84 -42.81 76.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 109.508 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -94.81 -2.6 50.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.309 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.5 m120 52.62 50.03 19.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.55 179.214 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.96 152.53 50.34 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.451 -0.781 . . . . 0.0 109.205 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.94 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 122.377 2.051 . . . . 0.0 111.439 179.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.13 -21.67 28.71 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.464 2.11 . . . . 0.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.76 -50.02 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 109.541 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.23 -44.42 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 0.0 110.287 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.75 84.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.019 . . . . 0.0 109.561 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.11 -39.95 87.97 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.154 -0.966 . . . . 0.0 108.957 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.05 -39.98 96.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.1 -41.64 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 108.017 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.36 -40.04 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.46 -19.76 50.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 0.0 109.592 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -87.08 -48.19 8.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -0.926 . . . . 0.0 108.993 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.06 129.0 40.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.2 -30.44 48.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.048 -1.032 . . . . 0.0 110.064 -179.157 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -72.28 -43.19 64.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 111.053 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -79.4 -22.62 44.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.832 -1.168 . . . . 0.0 110.645 -179.261 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -68.15 -49.26 62.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.863 -1.148 . . . . 0.0 110.089 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 179.797 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -101.8 144.94 29.84 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.422 0.629 . . . . 0.0 110.479 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.7 m-20 -60.1 -39.42 86.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.62 -15.0 0.13 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 60.4 mt -60.81 -41.71 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.273 -1.133 . . . . 0.0 109.107 179.259 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -62.4 -39.99 95.05 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 60.9 tttp -63.96 -38.03 89.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.94 73.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 110.299 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.002 -1.061 . . . . 0.0 110.455 -178.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 52.9 mp0 -99.8 11.73 38.5 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.006 -1.059 . . . . 0.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.7 -40.33 27.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.885 -1.134 . . . . 0.0 109.7 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.13 -39.85 87.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 109.908 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.5 -35.27 77.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.896 . . . . 0.0 110.119 -178.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.407 ' OH ' ' OD2' ' A' ' 25' ' ' ASP . 96.3 m-85 -86.75 -16.07 37.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.185 179.732 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 58.38 -138.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.292 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -82.47 -6.61 59.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 80.48 4.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.039 -1.038 . . . . 0.0 109.743 -179.467 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.79 63.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.395 -0.816 . . . . 0.0 109.004 179.31 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.17 -39.93 88.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.395 -0.815 . . . . 0.0 109.354 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.12 -46.62 89.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.356 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.89 . . . . 0.0 109.746 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 40.5 t -67.06 -35.06 79.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.309 -0.869 . . . . 0.0 109.81 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD2' ' OH ' ' A' ' 15' ' ' TYR . 54.1 t0 -69.97 -44.77 68.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.925 . . . . 0.0 109.741 -179.353 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.28 -0.08 50.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.74 . . . . 0.0 109.82 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.0 m120 53.06 45.28 29.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 110.532 179.154 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.23 150.92 44.48 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.6 Cg_endo -70.79 152.72 64.22 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.923 1.749 . . . . 0.0 111.594 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -40.64 -19.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.354 2.036 . . . . 0.0 112.75 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.1 t -59.93 -50.11 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.091 -1.005 . . . . 0.0 110.623 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.01 -43.46 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 110.94 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.2 82.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.866 -1.146 . . . . 0.0 109.217 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -59.95 -40.1 87.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.172 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.42 -40.43 94.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.386 -0.821 . . . . 0.0 110.18 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 36' ' ' ILE . 96.5 mt -62.87 -40.49 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.971 -1.081 . . . . 0.0 108.734 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.52 -40.04 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.168 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.12 -16.4 7.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.694 -0.629 . . . . 0.0 109.568 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -93.88 -46.82 7.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.082 -1.011 . . . . 0.0 108.901 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.87 126.18 26.61 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.695 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.99 -22.01 46.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 0.0 109.743 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -76.91 -47.04 22.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 0.0 110.329 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.2 m -79.04 -29.98 43.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.247 -179.451 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -70.57 -59.85 2.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.014 -1.054 . . . . 0.0 110.461 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.238 -0.913 . . . . 0.0 109.657 -179.112 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.89 144.98 29.86 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.482 0.658 . . . . 0.0 110.524 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.9 m-20 -59.86 -39.94 86.93 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.22 -15.03 0.11 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' ASP . 59.6 mt -60.93 -41.71 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.315 -1.109 . . . . 0.0 109.021 179.241 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.31 -40.06 95.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 108.534 178.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 60.9 tttp -63.8 -38.1 89.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.643 -0.66 . . . . 0.0 109.505 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.91 73.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.06 -39.98 87.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.0 110.189 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.977 -1.077 . . . . 0.0 110.52 -178.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 53.0 mp0 -99.83 11.88 38.14 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.041 -1.037 . . . . 0.0 111.042 -179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -48.9 -40.35 29.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.859 -1.151 . . . . 0.0 109.765 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -39.79 87.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.998 -179.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -35.22 77.39 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.176 -0.953 . . . . 0.0 109.997 -178.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . 0.418 ' OH ' ' OD2' ' B' ' 25' ' ' ASP . 96.1 m-85 -86.62 -15.98 38.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.794 -1.191 . . . . 0.0 109.236 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 58.29 -138.22 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.47 -0.769 . . . . 0.0 110.349 179.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.0 p -82.65 -6.68 59.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.686 . . . . 0.0 110.302 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 80.41 4.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.0 109.765 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.71 63.19 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.352 -0.842 . . . . 0.0 109.007 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.26 -40.15 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.256 -0.902 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.62 91.5 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.01 -46.69 88.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.866 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.92 -39.99 87.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 0.0 109.743 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 40.5 t -67.37 -34.97 78.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.418 ' OD2' ' OH ' ' B' ' 15' ' ' TYR . 54.3 t0 -70.0 -44.87 68.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.216 -0.928 . . . . 0.0 109.698 -179.409 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -96.29 0.08 50.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.482 -0.761 . . . . 0.0 109.904 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.1 m120 53.12 45.18 29.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -0.852 . . . . 0.0 110.528 179.032 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -114.03 150.91 44.32 Favored Pre-proline 0 N--CA 1.503 2.176 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.6 Cg_endo -70.82 152.88 64.19 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.859 1.706 . . . . 0.0 111.547 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.68 -20.18 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.336 2.024 . . . . 0.0 112.922 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.93 -49.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.048 -1.033 . . . . 0.0 110.414 -178.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.21 -43.46 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -178.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.04 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.892 -1.13 . . . . 0.0 109.252 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 109.163 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.56 -40.23 93.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.5 -0.75 . . . . 0.0 110.376 -179.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.428 HD11 HG22 ' B' ' 36' ' ' ILE . 96.6 mt -62.93 -40.22 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.066 -1.021 . . . . 0.0 108.635 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.7 -39.99 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.01 7.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.667 -0.646 . . . . 0.0 109.612 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -94.03 -46.93 6.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.022 -1.049 . . . . 0.0 108.895 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.71 126.15 26.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 108.811 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -78.97 -21.98 46.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.001 . . . . 0.0 109.678 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.89 -46.84 23.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 110.423 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -79.15 -30.06 43.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -0.95 . . . . 0.0 110.25 -179.544 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -70.41 -59.85 2.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.983 -1.073 . . . . 0.0 110.422 -179.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.096 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -100.04 140.63 33.99 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.767 0.794 . . . . 0.0 111.028 -178.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -60.05 -38.01 81.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.35 -13.01 0.21 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.027 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.4 mt -60.61 -39.72 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.372 -1.075 . . . . 0.0 108.999 178.885 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.096 -1.002 . . . . 0.0 108.501 179.36 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -61.56 -39.25 90.42 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.526 -0.734 . . . . 0.0 109.337 179.574 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 -38.38 74.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.153 -0.967 . . . . 0.0 109.586 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.0 -42.53 94.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.126 -0.983 . . . . 0.0 109.103 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.44 -39.95 95.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.528 -0.732 . . . . 0.0 110.073 -179.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -94.56 6.8 47.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.871 . . . . 0.0 110.237 -178.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -51.07 -34.3 29.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.092 -1.005 . . . . 0.0 109.396 179.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 81.2 mm-40 -60.07 -37.82 81.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 0.0 109.827 -179.193 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.07 -35.72 81.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.096 -1.002 . . . . 0.0 109.947 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.82 -20.02 28.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.925 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 30.1 m-70 59.37 -136.73 0.79 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 0.0 110.011 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -86.07 -2.9 58.75 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.272 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.48 82.31 6.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.802 -1.186 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -70.7 -19.16 62.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.053 -1.029 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.431 HH11 ' HG3' ' A' ' 20' ' ' ARG . 19.0 mmm-85 -60.74 -48.01 83.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.945 . . . . 0.0 109.523 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.65 99.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.182 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.33 89.92 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.93 -42.33 93.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.85 -1.157 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 m -64.85 -40.03 94.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 110.435 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -69.96 -40.18 75.58 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 110.513 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -92.62 -1.33 56.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.108 -0.995 . . . . 0.0 108.891 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.6 m120 50.97 49.47 21.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.417 -0.802 . . . . 0.0 110.234 179.418 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 mt -116.89 151.74 47.76 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.548 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.46 152.37 43.56 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.133 1.889 . . . . 0.0 111.748 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -41.0 -26.24 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.495 2.13 . . . . 0.0 113.297 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.89 -50.43 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.886 -1.134 . . . . 0.0 110.347 -178.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -74.3 -41.84 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.105 -0.997 . . . . 0.0 109.702 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.23 86.74 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.309 -0.869 . . . . 0.0 108.818 -179.737 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.369 -0.832 . . . . 0.0 108.975 178.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -64.22 -40.56 96.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.04 -42.77 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.885 -1.134 . . . . 0.0 108.215 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.7 t -65.16 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HA ' HE22 ' A' ' 44' ' ' GLN . . . -61.41 -27.37 68.49 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.643 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -88.08 -36.62 16.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 109.7 -178.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.17 129.65 42.95 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.98 -27.57 54.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.065 -1.022 . . . . 0.0 110.152 -179.136 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.01 -40.14 68.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.011 -1.056 . . . . 0.0 110.112 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -86.94 1.33 53.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 109.907 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.491 HE22 ' HA ' ' A' ' 38' ' ' ALA . 6.4 tp-100 -78.2 -70.04 0.51 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -0.999 . . . . 0.0 109.681 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.848 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.06 140.6 34.06 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.81 0.814 . . . . 0.0 110.986 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 5' ' ' ILE . 90.7 m-20 -60.04 -37.98 81.39 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.33 -12.99 0.2 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.108 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.533 ' H ' ' C ' ' B' ' 3' ' ' ASP . 58.4 mt -60.68 -39.6 82.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -1.096 . . . . 0.0 108.96 178.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.07 -39.29 85.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.561 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -61.46 -39.08 89.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.396 179.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.23 74.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.592 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.05 -42.37 94.35 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.19 -0.944 . . . . 0.0 109.219 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.68 -39.94 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.009 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -94.65 6.89 47.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 -178.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -51.06 -34.46 30.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.339 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 81.2 mm-40 -59.98 -37.63 80.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.911 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.25 -35.51 80.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.887 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.96 -20.11 27.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.03 -1.043 . . . . 0.0 109.929 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 30.3 m-70 59.52 -136.68 0.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 110.065 179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -86.12 -2.85 58.72 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.0 110.505 -179.351 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.52 82.47 6.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.871 -1.143 . . . . 0.0 109.581 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -70.86 -19.15 62.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.079 -1.013 . . . . 0.0 109.118 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG3' ' B' ' 20' ' ' ARG . 19.0 mmm-85 -60.64 -48.09 83.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 109.502 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.64 99.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.32 -0.863 . . . . 0.0 109.236 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.59 88.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.182 -0.949 . . . . 0.0 109.751 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.65 -42.41 92.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.843 -1.161 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.3 m -64.79 -39.97 94.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.144 -0.973 . . . . 0.0 110.469 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -70.12 -39.96 75.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.995 -1.066 . . . . 0.0 110.535 -179.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -92.67 -1.31 56.96 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.028 -1.045 . . . . 0.0 108.908 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.7 m120 51.01 49.42 21.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.415 -0.803 . . . . 0.0 110.143 179.331 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.94 151.69 47.74 Favored Pre-proline 0 N--CA 1.502 2.144 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.38 152.51 44.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.028 1.819 . . . . 0.0 111.744 179.524 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -41.0 -26.34 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.524 2.149 . . . . 0.0 113.42 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -50.2 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.81 -1.181 . . . . 0.0 110.313 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.4 -41.88 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.09 -1.006 . . . . 0.0 109.759 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.39 86.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.268 -0.895 . . . . 0.0 108.824 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.894 . . . . 0.0 108.874 178.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.25 -40.53 96.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 110.474 -179.309 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.01 -42.66 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.995 -1.066 . . . . 0.0 108.29 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.22 -40.01 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.156 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.426 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -61.25 -27.21 68.29 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 -179.753 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -88.15 -36.86 16.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.977 -1.077 . . . . 0.0 109.45 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.11 129.84 43.82 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.158 -0.964 . . . . 0.0 108.475 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.16 -27.48 53.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 110.134 -179.094 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -72.08 -40.11 68.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.013 . . . . 0.0 110.107 -179.082 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -86.96 1.04 54.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 0.0 109.942 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -78.35 -69.97 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.713 -179.566 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.184 -0.947 . . . . 0.0 109.542 -179.882 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.94 140.3 33.31 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.456 0.646 . . . . 0.0 110.707 -178.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 5' ' ' ILE . 8.4 t70 -59.98 -36.63 77.56 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.785 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.58 -13.29 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.489 ' H ' ' C ' ' A' ' 3' ' ' ASP . 59.0 mt -61.98 -41.08 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.467 -1.02 . . . . 0.0 109.174 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.1 -39.0 93.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.07 72.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -0.86 . . . . 0.0 109.598 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.03 -41.31 91.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.032 . . . . 0.0 108.783 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.12 -35.68 81.1 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.498 -0.751 . . . . 0.0 109.379 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.96 2.82 56.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 110.523 -178.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.57 -41.37 30.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.983 -1.073 . . . . 0.0 109.629 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mt-10 -59.98 -39.05 84.34 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.349 -0.844 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -60.07 -39.23 85.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.505 -0.747 . . . . 0.0 109.964 -178.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.32 -16.73 36.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.868 -1.145 . . . . 0.0 109.577 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 42.7 m-70 58.82 -133.56 1.0 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 179.029 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -82.84 -9.24 59.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 -179.34 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.42 79.66 7.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.969 -1.082 . . . . 0.0 110.083 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.18 -23.32 62.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -40.37 92.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.326 -0.859 . . . . 0.0 110.295 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.21 88.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.77 -40.45 97.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.872 . . . . 0.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -39.97 84.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 0.0 109.708 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m -67.26 -36.24 81.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.883 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.84 -43.46 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 109.387 -179.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -93.05 -1.96 56.07 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 109.818 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.1 m120 52.32 50.06 19.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 179.237 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.05 153.72 49.67 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.482 -0.761 . . . . 0.0 109.062 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' VAL . 62.2 Cg_endo -74.21 149.96 41.54 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.842 1.694 . . . . 0.0 110.885 178.843 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -40.69 -21.09 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.082 1.855 . . . . 0.0 112.553 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.09 -49.85 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.026 -1.046 . . . . 0.0 110.468 -178.899 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.78 -40.03 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.044 -1.035 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.23 74.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.99 -1.069 . . . . 0.0 109.086 -179.2 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.48 -39.94 89.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.07 -40.06 94.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.386 -0.821 . . . . 0.0 110.285 -179.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 36' ' ' ILE . 89.7 mt -60.34 -41.27 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.033 -1.042 . . . . 0.0 108.442 -179.73 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -39.94 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.136 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -26.83 65.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.733 -0.604 . . . . 0.0 110.378 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -94.87 -19.88 19.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.915 -1.115 . . . . 0.0 109.092 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 41' ' ' ASP . 14.6 t -60.58 155.02 19.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.306 -0.871 . . . . 0.0 108.909 179.002 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 90.8 m-20 -80.57 -69.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.188 -0.945 . . . . 0.0 111.506 -178.769 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -70.7 -37.18 73.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.63 -0.669 . . . . 0.0 112.14 -176.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.09 -24.82 61.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.518 -1.364 . . . . 0.0 111.623 -177.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.426 HE22 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.85 -41.2 75.21 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.364 -1.46 . . . . 0.0 109.77 -179.194 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 HE22 ' A' ' 44' ' ' GLN . 65.9 mt . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.049 -1.032 . . . . 0.0 109.394 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.4 mt -98.92 140.11 33.57 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.413 0.625 . . . . 0.0 110.71 -178.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' B' ' 5' ' ' ILE . 8.3 t70 -59.89 -36.69 77.49 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 -13.3 0.46 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 178.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.484 ' N ' ' C ' ' B' ' 3' ' ' ASP . 58.6 mt -62.13 -40.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.448 -1.03 . . . . 0.0 109.167 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.08 -39.92 87.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 108.594 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.28 -38.86 92.56 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.249 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.09 72.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.329 -0.857 . . . . 0.0 109.492 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.9 -41.51 91.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.008 -1.057 . . . . 0.0 108.695 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.93 -35.64 80.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.501 -0.749 . . . . 0.0 109.462 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.0 2.81 56.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.357 -0.84 . . . . 0.0 110.562 -178.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -48.58 -41.18 29.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.902 -1.123 . . . . 0.0 109.63 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 93.0 mt-10 -60.12 -39.11 85.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.337 -0.852 . . . . 0.0 109.893 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -60.0 -39.49 85.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.806 . . . . 0.0 109.809 -178.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.06 -16.69 37.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.869 -1.145 . . . . 0.0 109.566 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 43.2 m-70 58.81 -133.76 0.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 110.385 178.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 t -82.76 -9.39 59.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 110.211 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.39 79.97 7.89 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.065 -1.022 . . . . 0.0 109.97 -179.606 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.27 -23.19 62.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 0.0 109.255 179.101 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.85 -40.38 92.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.343 -0.848 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.185 -0.947 . . . . 0.0 109.602 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.78 -40.23 96.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.33 -40.25 85.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 -179.863 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -66.94 -36.21 81.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.321 -0.862 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -69.82 -43.48 71.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.373 -179.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -93.12 -1.98 55.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.511 -0.743 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 52.33 50.02 19.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.499 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.11 153.6 49.73 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.499 -0.751 . . . . 0.0 109.026 179.582 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 61.8 Cg_endo -74.2 150.03 41.68 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.755 1.637 . . . . 0.0 110.91 178.918 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.61 -21.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.064 1.842 . . . . 0.0 112.507 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.6 t -60.05 -50.09 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.022 -1.049 . . . . 0.0 110.388 -178.839 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.69 -39.95 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.898 -1.126 . . . . 0.0 110.423 -179.029 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.2 74.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.059 . . . . 0.0 109.031 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.48 -39.94 89.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 109.709 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -62.01 -40.14 94.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 110.151 -179.219 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.26 -41.13 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.993 -1.067 . . . . 0.0 108.629 -179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.99 -39.89 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.181 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -27.15 66.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.756 -0.59 . . . . 0.0 110.216 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -94.55 -19.7 20.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.008 -1.057 . . . . 0.0 109.063 -179.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' B' ' 41' ' ' ASP . 14.8 t -60.67 154.92 20.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.263 -0.898 . . . . 0.0 108.933 178.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' B' ' 40' ' ' CYS . 91.8 m-20 -80.36 -69.65 0.58 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 111.449 -178.857 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -70.46 -37.18 74.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.551 -0.718 . . . . 0.0 112.217 -177.033 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.17 -25.02 61.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.583 -1.323 . . . . 0.0 111.642 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -69.6 -41.21 76.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.423 -1.423 . . . . 0.0 109.82 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 N--CA 1.498 1.943 0 O-C-N 120.972 -1.08 . . . . 0.0 109.459 178.895 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.608 0.718 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.7 145.96 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.732 0.777 . . . . 0.0 110.821 -179.392 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 47.0 t0 -60.04 -39.97 87.75 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.46 -16.52 0.58 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 179.553 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.01 -41.46 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.343 -1.092 . . . . 0.0 108.698 179.128 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.05 -38.89 92.29 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.619 -0.676 . . . . 0.0 109.585 -179.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.06 -41.91 93.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.122 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.61 -39.99 93.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -0.864 . . . . 0.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.57 3.51 55.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.241 -0.912 . . . . 0.0 110.655 -178.723 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.5 -42.29 43.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.796 -1.19 . . . . 0.0 109.397 -179.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -38.81 84.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.88 . . . . 0.0 109.959 179.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.3 -39.97 88.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.814 . . . . 0.0 110.565 -178.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.11 -14.83 45.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.95 -1.094 . . . . 0.0 109.835 -179.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 59.41 -134.09 0.89 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.44 -0.787 . . . . 0.0 110.523 179.437 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -84.31 -1.16 54.9 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.317 -0.864 . . . . 0.0 110.687 -178.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.45 6.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.868 -1.145 . . . . 0.0 109.883 -179.643 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.93 -27.73 65.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.97 -41.1 91.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.768 -179.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.88 82.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.952 . . . . 0.0 109.062 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.66 -42.96 99.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 109.474 179.577 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.0 85.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 0.0 109.248 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.33 -38.03 88.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.421 -0.8 . . . . 0.0 109.973 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.96 75.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.37 -0.03 53.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.15 -0.969 . . . . 0.0 109.397 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.62 48.5 22.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.368 -0.833 . . . . 0.0 110.066 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 mt -116.34 153.55 48.73 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.453 -0.779 . . . . 0.0 109.206 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 90.6 Cg_endo -76.21 149.92 32.5 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.047 1.832 . . . . 0.0 111.501 178.861 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -38.31 -22.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.435 2.09 . . . . 0.0 113.024 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -60.0 -52.47 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.767 -1.208 . . . . 0.0 110.338 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.5 -39.99 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.125 -0.984 . . . . 0.0 110.089 -179.417 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.3 78.3 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.165 -0.959 . . . . 0.0 108.985 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.68 -39.97 90.4 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 109.322 179.118 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.98 -40.84 96.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.495 -0.753 . . . . 0.0 110.662 -179.136 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.33 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.97 -1.081 . . . . 0.0 108.206 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.87 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.172 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.51 -20.37 59.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.832 -0.542 . . . . 0.0 110.535 -179.805 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 m -94.44 -38.31 11.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.906 -1.121 . . . . 0.0 109.581 -179.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.91 130.54 47.24 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.43 -31.31 48.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.993 . . . . 0.0 110.794 -179.039 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -70.82 -40.21 72.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.847 -1.158 . . . . 0.0 109.991 -179.143 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.0 m -86.42 6.09 31.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.097 -1.002 . . . . 0.0 109.791 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.9 tp-100 -78.28 -69.87 0.53 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.44 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 109.328 -179.898 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.72 145.97 24.19 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.823 0.821 . . . . 0.0 110.876 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.449 ' C ' ' N ' ' B' ' 5' ' ' ILE . 47.4 t0 -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -16.4 0.57 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' B' ' 3' ' ' ASP . 79.8 mt -60.05 -41.52 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.274 -1.133 . . . . 0.0 108.689 179.16 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -65.17 -38.9 92.0 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.1 77.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.589 -0.695 . . . . 0.0 109.599 -179.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.11 -41.8 93.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.949 -1.094 . . . . 0.0 109.024 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.72 -39.98 93.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.358 -0.839 . . . . 0.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.46 3.4 55.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.232 -0.917 . . . . 0.0 110.775 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -42.45 40.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.753 -1.217 . . . . 0.0 109.436 -179.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.4 -0.813 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.24 -39.98 88.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 110.639 -178.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.06 -14.85 45.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.89 -1.131 . . . . 0.0 109.853 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 59.36 -134.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.324 -0.86 . . . . 0.0 110.438 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -84.08 -1.32 54.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.351 -0.843 . . . . 0.0 110.652 -178.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.52 6.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.859 -1.151 . . . . 0.0 109.972 -179.586 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -70.08 -27.7 64.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.397 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.96 -41.08 91.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 0.0 109.778 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.9 82.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.15 -0.969 . . . . 0.0 109.004 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.8 ttp -62.55 -42.95 99.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.88 85.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.11 -0.993 . . . . 0.0 109.278 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.46 -38.16 89.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.7 -40.03 76.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 110.481 -179.316 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.52 0.07 52.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.086 -1.009 . . . . 0.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.51 48.48 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.346 -0.846 . . . . 0.0 110.155 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -116.38 153.56 48.79 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.507 -0.746 . . . . 0.0 109.259 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 90.8 Cg_endo -76.21 149.97 32.56 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.039 1.826 . . . . 0.0 111.392 179.013 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.38 -22.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.426 2.084 . . . . 0.0 113.082 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.9 t -59.98 -52.6 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.912 -1.118 . . . . 0.0 110.186 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.37 -39.98 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.965 . . . . 0.0 110.164 -179.448 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.18 78.77 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.972 -1.08 . . . . 0.0 108.977 -179.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.74 -39.99 90.73 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 109.253 179.127 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.11 -40.86 97.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.649 -178.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.23 -40.05 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.028 -1.045 . . . . 0.0 108.251 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.84 -40.0 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.137 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.47 -20.68 60.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.792 -0.567 . . . . 0.0 110.613 -179.79 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.2 m -94.25 -38.31 11.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.924 -1.11 . . . . 0.0 109.662 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.9 130.46 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.105 -0.997 . . . . 0.0 108.422 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.4 -31.32 48.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.984 . . . . 0.0 110.797 -179.057 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.7 -40.44 72.85 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.955 -1.09 . . . . 0.0 110.026 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -86.21 5.99 31.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.154 -0.966 . . . . 0.0 109.809 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -78.12 -69.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 -179.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.262 -0.899 . . . . 0.0 109.366 -179.898 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.647 0.737 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.34 141.48 31.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.64 0.733 . . . . 0.0 110.729 -179.067 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.623 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.97 -15.28 0.16 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 63.6 mt -60.36 -40.6 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -1.129 . . . . 0.0 108.683 178.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.04 -35.84 82.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -37.25 76.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.89 -40.1 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.073 -1.017 . . . . 0.0 109.333 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.26 -40.02 88.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.57 1.91 56.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.029 -1.044 . . . . 0.0 110.927 -178.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.51 -41.09 29.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.798 -1.188 . . . . 0.0 108.922 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.8 mt-10 -60.99 -39.96 91.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.518 -0.739 . . . . 0.0 109.332 179.323 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.99 -40.06 92.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.321 -0.862 . . . . 0.0 109.609 -179.556 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.54 -18.12 32.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 68.5 m-70 57.61 -128.8 1.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.486 -0.759 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -85.37 -9.05 58.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.501 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -78.07 74.91 4.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 0.0 109.654 -179.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.05 -25.1 63.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.572 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.5 -40.19 90.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.952 . . . . 0.0 109.681 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.09 89.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.344 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 ttp -61.88 -40.72 96.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 0.0 109.438 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.86 -40.0 82.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.017 -1.052 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.52 -40.02 77.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.93 -1.55 54.52 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.109 -0.994 . . . . 0.0 108.909 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.5 m120 52.09 50.09 19.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -0.785 . . . . 0.0 110.139 179.174 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.58 153.07 51.97 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.563 -0.711 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.49 154.69 45.31 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.971 1.78 . . . . 0.0 111.316 179.286 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.68 -21.5 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.18 1.92 . . . . 0.0 112.954 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.71 -57.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 110.46 -178.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.79 -40.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 110.132 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.15 70.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.397 178.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.19 -40.53 90.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.022 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.93 -41.29 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 108.326 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.05 -40.04 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.031 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.12 -18.53 58.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.564 -0.71 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -95.07 -40.45 9.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.033 -1.042 . . . . 0.0 109.919 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.3 130.55 46.72 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.008 -1.057 . . . . 0.0 108.614 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -76.42 -32.79 58.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 110.505 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.3 -39.92 74.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.414 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.78 -4.98 59.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.986 -1.071 . . . . 0.0 110.258 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -69.71 -58.21 4.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.059 -1.026 . . . . 0.0 109.509 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.223 -0.923 . . . . 0.0 109.843 -179.784 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.641 0.734 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.4 141.45 31.26 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.643 0.735 . . . . 0.0 110.709 -178.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -60.04 -39.86 87.36 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.683 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -15.39 0.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 178.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 63.6 mt -60.23 -40.63 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -1.143 . . . . 0.0 108.68 178.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.17 -35.7 81.9 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.362 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.1 76.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.516 -0.74 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.026 -1.046 . . . . 0.0 109.336 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.33 -39.99 89.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.168 -0.957 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.61 1.88 57.02 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.118 -0.989 . . . . 0.0 110.898 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.4 -41.1 28.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.826 -1.172 . . . . 0.0 108.904 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.411 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.9 mt-10 -60.95 -39.98 91.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.497 -0.752 . . . . 0.0 109.448 179.307 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.12 -40.01 92.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.557 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.45 -18.21 32.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 109.508 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 68.4 m-70 57.71 -128.75 1.6 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.453 -0.779 . . . . 0.0 110.188 179.309 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 p -85.42 -8.93 58.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.0 110.479 -179.294 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.14 74.81 4.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 109.699 -179.029 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.0 -25.12 63.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.636 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.62 -40.02 90.35 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 109.63 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.06 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.325 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.95 -40.79 96.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 109.39 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.76 -40.01 82.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.88 -1.138 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.5 m -64.33 -39.99 95.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 110.16 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.66 -39.95 76.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.211 -0.931 . . . . 0.0 110.501 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -93.75 -1.63 54.81 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.094 -1.004 . . . . 0.0 108.962 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.5 m120 52.3 49.93 19.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.475 -0.766 . . . . 0.0 110.068 179.061 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -118.56 153.1 51.94 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.526 -0.734 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.56 154.56 44.87 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.996 1.797 . . . . 0.0 111.215 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.51 -21.67 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.153 1.902 . . . . 0.0 112.982 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.57 -57.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.017 -1.052 . . . . 0.0 110.494 -178.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.82 -39.96 76.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.221 -0.925 . . . . 0.0 110.182 -179.075 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.02 71.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.046 -1.034 . . . . 0.0 109.418 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.037 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.32 -40.22 89.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.389 -0.819 . . . . 0.0 109.994 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.22 -41.17 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.049 -1.032 . . . . 0.0 108.363 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.15 -39.95 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.54 58.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.681 -0.637 . . . . 0.0 110.17 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.2 m -95.13 -40.27 9.69 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.052 -1.03 . . . . 0.0 109.932 -179.198 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.41 130.5 46.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 108.536 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -76.41 -32.79 58.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.221 -0.925 . . . . 0.0 110.474 -179.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.29 -40.1 74.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 110.378 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.76 -4.76 59.25 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.019 -1.051 . . . . 0.0 110.203 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 66.2 tp60 -69.73 -58.27 4.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 109.509 -179.456 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.205 -0.935 . . . . 0.0 109.787 -179.703 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.13 138.43 37.21 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 5' ' ' ILE . 96.9 m-20 -60.23 -36.88 78.73 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.342 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -12.13 0.19 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.53 ' H ' ' C ' ' A' ' 3' ' ' ASP . 34.1 mt -59.91 -35.8 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.638 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 57.8 t0 -59.97 -37.06 78.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.39 -0.818 . . . . 0.0 109.244 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.09 -36.69 84.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 109.372 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.42 72.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.264 -0.898 . . . . 0.0 109.764 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.09 -41.2 92.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.079 -1.013 . . . . 0.0 109.588 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -40.01 94.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.36 5.8 50.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.184 -0.948 . . . . 0.0 110.652 -178.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.2 t -49.31 -41.74 39.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.868 -1.145 . . . . 0.0 109.137 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.38 -39.63 91.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.639 -0.663 . . . . 0.0 109.718 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 87.8 tttt -60.48 -39.81 89.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.212 -0.93 . . . . 0.0 110.062 -179.056 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.8 -13.02 43.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.983 -1.073 . . . . 0.0 109.634 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 29.8 m80 58.96 -139.02 0.76 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.434 -0.792 . . . . 0.0 110.242 179.058 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -83.9 -2.32 56.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -0.924 . . . . 0.0 110.342 -179.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.07 82.55 6.12 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.004 -1.06 . . . . 0.0 109.542 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.12 -29.18 66.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.477 -0.764 . . . . 0.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -60.11 -40.34 89.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.898 -1.126 . . . . 0.0 110.4 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.39 89.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.877 -1.139 . . . . 0.0 108.613 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.01 -44.77 96.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.535 -0.728 . . . . 0.0 109.587 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.93 -40.22 75.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.375 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -64.79 -39.73 94.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.404 -0.81 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.88 -39.99 75.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.067 -1.021 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.19 -3.08 57.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.041 . . . . 0.0 109.004 179.518 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.6 m120 52.85 47.14 25.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.508 -0.745 . . . . 0.0 110.735 179.035 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 mt -117.48 151.34 48.07 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.444 -0.785 . . . . 0.0 108.975 179.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.37 153.98 55.91 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.862 1.708 . . . . 0.0 111.652 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.41 -24.14 0.22 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.656 2.237 . . . . 0.0 113.667 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.83 -53.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.99 -1.069 . . . . 0.0 110.112 -178.368 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.62 -40.88 62.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.375 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.33 70.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 0.0 109.56 -179.537 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.31 -39.98 88.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.94 -1.1 . . . . 0.0 109.328 178.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.2 -40.98 95.97 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.132 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.21 -40.17 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.744 -1.222 . . . . 0.0 107.908 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.07 -39.94 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.352 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.81 -19.74 30.74 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.667 -0.645 . . . . 0.0 109.787 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m -92.05 -44.51 8.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.073 -1.017 . . . . 0.0 108.719 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.61 123.95 18.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.64 -21.02 56.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.889 -1.132 . . . . 0.0 109.994 -179.473 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -78.52 -46.88 18.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.963 -1.086 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -79.05 -20.83 47.91 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.085 -1.01 . . . . 0.0 110.209 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.37 -69.09 0.56 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.895 -1.128 . . . . 0.0 108.971 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.351 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.07 138.25 37.4 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -0.843 . . . . 0.0 111.137 -178.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 5' ' ' ILE . 96.8 m-20 -60.09 -36.73 78.06 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.267 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.77 -12.04 0.2 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.046 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.544 ' H ' ' C ' ' B' ' 3' ' ' ASP . 33.9 mt -59.93 -35.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.706 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 57.4 t0 -60.34 -37.03 79.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.541 -0.724 . . . . 0.0 109.143 179.243 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -62.82 -37.15 85.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.181 -0.949 . . . . 0.0 109.385 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.41 72.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 -179.479 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.91 -41.14 91.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 -40.06 94.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.47 5.99 49.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.155 -0.966 . . . . 0.0 110.64 -178.726 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -49.36 -41.7 39.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.748 -1.22 . . . . 0.0 108.928 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.49 -39.41 90.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.479 -0.763 . . . . 0.0 109.766 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 87.8 tttt -60.62 -40.05 90.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.037 -1.039 . . . . 0.0 110.053 -179.098 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -87.48 -12.95 44.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.032 -1.043 . . . . 0.0 109.709 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 29.5 m80 58.69 -139.13 0.78 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.496 -0.752 . . . . 0.0 110.207 179.145 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.99 -2.12 56.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -80.22 83.0 6.15 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.42 -28.99 65.49 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.485 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.3 -40.36 90.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.957 -1.089 . . . . 0.0 110.337 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.52 89.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.055 . . . . 0.0 108.629 179.551 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -61.81 -44.85 96.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.626 -0.671 . . . . 0.0 109.655 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.07 -40.01 76.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.144 -0.973 . . . . 0.0 109.381 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.7 m -64.71 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.419 -0.801 . . . . 0.0 110.28 -179.646 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.95 -40.08 75.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.917 -179.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.28 -2.96 57.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.119 -0.988 . . . . 0.0 108.918 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.6 m120 52.64 47.43 24.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 0.0 110.718 178.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 mt -117.59 151.48 48.4 Favored Pre-proline 0 N--CA 1.503 2.206 0 O-C-N 121.353 -0.842 . . . . 0.0 108.841 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.34 154.01 56.07 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.9 1.733 . . . . 0.0 111.603 179.575 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -41.52 -24.04 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.659 2.239 . . . . 0.0 113.671 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.97 -53.0 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.863 -1.148 . . . . 0.0 110.071 -178.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -40.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.923 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.083 -1.011 . . . . 0.0 109.6 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.25 -40.02 88.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 178.698 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.09 -40.79 95.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 -179.181 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.23 -40.16 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.03 -40.2 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.183 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.8 -19.64 29.84 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.738 -179.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.6 m -92.1 -44.12 9.0 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.094 -1.003 . . . . 0.0 108.748 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.03 123.68 17.86 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.46 -20.82 56.63 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.851 -1.156 . . . . 0.0 110.088 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -78.79 -46.92 17.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.974 -1.079 . . . . 0.0 110.242 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.6 m -78.9 -21.0 48.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.051 -1.03 . . . . 0.0 110.225 -179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.31 -69.49 0.53 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.975 -1.078 . . . . 0.0 108.89 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.4 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.9 mt -98.6 137.02 37.85 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.401 -0.812 . . . . 0.0 111.183 -178.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 5' ' ' ILE . 93.4 m-20 -60.76 -39.05 87.3 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.44 -11.7 0.16 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.151 -1.58 . . . . 0.0 109.151 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' H ' ' C ' ' A' ' 3' ' ' ASP . 41.7 mt -59.79 -32.75 50.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.406 -1.055 . . . . 0.0 108.299 178.815 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.17 -0.956 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.77 -39.49 88.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.177 -0.952 . . . . 0.0 108.569 179.44 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.2 79.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.501 -0.749 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -60.11 -40.91 91.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.83 -1.169 . . . . 0.0 109.021 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -61.55 -40.01 93.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.52 -0.737 . . . . 0.0 110.214 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.1 2.08 56.9 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.277 -0.889 . . . . 0.0 110.386 -178.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.04 -39.68 20.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 96.4 mt-10 -59.86 -39.43 85.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.407 -0.808 . . . . 0.0 109.069 179.865 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.3 tttm -60.42 -39.76 88.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.0 109.73 -179.883 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -85.04 -16.52 40.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 9.1 m80 59.74 -137.28 0.73 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 t -86.7 -1.85 58.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.855 . . . . 0.0 110.285 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.44 79.24 8.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.945 -1.097 . . . . 0.0 109.588 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.96 -25.77 63.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.0 109.809 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.18 78.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.17 -0.956 . . . . 0.0 109.759 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.41 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.0 81.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.094 -1.004 . . . . 0.0 109.583 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.8 m -64.86 -39.95 94.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 0.0 110.76 -179.413 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -70.02 -40.02 75.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.079 -1.013 . . . . 0.0 110.707 -178.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -92.81 -2.26 56.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.155 -0.966 . . . . 0.0 108.978 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m120 52.09 46.64 26.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.402 -0.811 . . . . 0.0 110.03 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.36 151.41 44.35 Favored Pre-proline 0 N--CA 1.501 2.117 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.8 Cg_endo -72.72 150.42 50.29 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.891 1.727 . . . . 0.0 111.538 179.329 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -40.65 -23.72 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.428 2.085 . . . . 0.0 113.122 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.98 -50.57 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.949 -1.094 . . . . 0.0 110.327 -178.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -76.97 -38.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.12 -0.988 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.61 68.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 109.089 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.63 -40.02 90.43 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.37 -40.0 92.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 110.455 -179.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.01 -40.66 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.15 -39.56 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.87 -24.89 64.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.773 -0.579 . . . . 0.0 110.705 -179.525 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -92.52 -34.41 14.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.866 -1.146 . . . . 0.0 109.647 -179.327 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.5 t -60.01 130.63 47.68 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.067 -1.021 . . . . 0.0 108.554 179.022 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -76.69 -34.89 58.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 0.0 110.911 -179.035 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.28 -40.05 74.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 110.868 -178.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -85.32 -1.04 56.54 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.534 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.9 tp-100 -69.5 -57.99 4.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.026 -1.046 . . . . 0.0 109.482 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.462 179.867 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.59 137.08 37.75 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.856 0.836 . . . . 0.0 111.079 -178.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.549 ' C ' ' H ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.84 -39.24 88.33 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.17 -11.87 0.15 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.549 ' H ' ' C ' ' B' ' 3' ' ' ASP . 41.5 mt -59.75 -32.67 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 121.407 -1.055 . . . . 0.0 108.352 178.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -40.03 88.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.061 179.308 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.71 -39.34 88.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 108.625 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.48 80.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -59.93 -40.71 89.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.857 -1.152 . . . . 0.0 108.93 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.66 -40.06 93.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.447 -0.783 . . . . 0.0 110.145 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.13 2.22 56.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.296 -0.877 . . . . 0.0 110.415 -178.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.24 -39.51 21.57 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.001 -1.062 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 96.5 mt-10 -60.03 -39.39 85.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.367 -0.833 . . . . 0.0 109.073 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.437 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.34 -39.85 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.839 . . . . 0.0 109.681 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.0 -16.54 40.46 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.007 -1.058 . . . . 0.0 109.95 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 9.2 m80 59.85 -137.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.738 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 24.8 t -86.36 -1.94 57.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 0.0 110.3 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.51 79.24 8.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.702 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.9 -25.6 63.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.898 . . . . 0.0 109.825 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.48 -40.49 91.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.051 -179.401 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.29 78.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -63.29 -40.08 96.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.978 . . . . 0.0 109.74 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.01 81.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.134 -0.979 . . . . 0.0 109.582 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.4 m -64.8 -39.98 94.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.191 -0.943 . . . . 0.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.67 -178.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -92.8 -2.42 55.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.131 -0.981 . . . . 0.0 109.015 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m120 52.12 46.6 26.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.404 -0.81 . . . . 0.0 109.978 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.18 151.41 44.23 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.33 -0.856 . . . . 0.0 109.463 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.6 Cg_endo -72.72 150.28 50.02 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.99 1.794 . . . . 0.0 111.493 179.326 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -40.66 -23.47 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.367 2.045 . . . . 0.0 113.025 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.06 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.958 -1.089 . . . . 0.0 110.552 -178.74 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.85 -38.21 28.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 109.652 -179.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.27 70.41 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.182 -0.949 . . . . 0.0 109.038 -179.448 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.86 -40.01 91.31 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 110.065 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.34 -39.99 92.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 110.347 -179.115 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.99 -40.64 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 107.901 -179.634 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.14 -39.9 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.392 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -25.02 64.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.672 -0.643 . . . . 0.0 110.681 -179.602 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -92.65 -34.37 14.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.769 -1.207 . . . . 0.0 109.644 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.143 -0.973 . . . . 0.0 108.54 178.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -76.67 -35.21 58.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.147 -0.971 . . . . 0.0 110.931 -179.026 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.09 -40.02 75.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.069 -1.019 . . . . 0.0 110.778 -178.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -85.22 -1.12 56.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.911 -1.118 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 71.8 tp60 -69.48 -57.82 4.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.059 -1.026 . . . . 0.0 109.531 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.26 -0.9 . . . . 0.0 109.512 179.898 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.07 138.55 36.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.723 0.773 . . . . 0.0 111.495 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 5' ' ' ILE . 63.7 t0 -59.96 -39.99 87.52 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.37 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.6 -10.77 0.25 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 3' ' ' ASP . 38.1 mt -60.02 -32.49 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.395 -1.062 . . . . 0.0 108.446 179.052 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.08 -39.16 85.13 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.27 -38.06 87.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.417 -0.802 . . . . 0.0 109.096 179.548 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.69 71.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.104 -0.997 . . . . 0.0 109.546 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.44 -0.03 57.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.091 -1.005 . . . . 0.0 110.744 -178.625 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.91 -46.03 42.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.797 -1.189 . . . . 0.0 108.963 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -40.02 87.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.454 -0.779 . . . . 0.0 109.45 179.273 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.297 -0.877 . . . . 0.0 109.756 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.21 -11.19 56.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.934 -1.104 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 58.99 -135.99 0.86 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.538 -0.726 . . . . 0.0 110.46 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -83.94 -4.53 58.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.564 -0.71 . . . . 0.0 110.561 -178.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.64 76.13 7.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.861 -1.149 . . . . 0.0 109.86 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.58 -24.71 62.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.952 . . . . 0.0 109.892 179.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.13 -40.08 92.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.993 . . . . 0.0 109.822 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.68 89.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.22 -42.25 99.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 0.0 109.359 179.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.05 79.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.067 -1.021 . . . . 0.0 109.818 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 41.4 t -65.49 -38.5 89.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.088 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.56 -39.9 77.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.244 -0.91 . . . . 0.0 110.254 -179.348 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.64 0.23 56.41 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.096 -1.002 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 52.11 46.15 27.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.283 -0.886 . . . . 0.0 110.308 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.5 mt -115.52 152.71 47.41 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.469 -0.769 . . . . 0.0 109.356 -179.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 74.3 Cg_endo -74.01 149.99 42.63 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.052 1.835 . . . . 0.0 111.39 179.346 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -39.87 -23.77 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.414 2.076 . . . . 0.0 113.384 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.2 t -60.0 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.849 -1.157 . . . . 0.0 110.454 -178.664 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.92 -40.0 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.147 -0.97 . . . . 0.0 110.176 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.109 -0.995 . . . . 0.0 109.489 -179.25 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -60.02 -40.0 87.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.227 -0.92 . . . . 0.0 110.022 179.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.17 -39.94 92.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 0.0 110.441 -179.085 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 36' ' ' ILE . 96.7 mt -60.7 -41.63 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.877 -1.139 . . . . 0.0 108.494 -179.709 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.01 -39.97 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.55 -26.01 65.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.721 -0.612 . . . . 0.0 110.405 -179.618 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -91.6 -33.99 14.89 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.645 -179.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.55 126.1 26.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 108.543 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.28 -34.05 61.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.45 -39.96 74.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.677 -178.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.4 1.12 49.97 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.837 -1.164 . . . . 0.0 109.565 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -77.07 -71.15 0.42 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.179 -0.95 . . . . 0.0 109.157 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.131 179.775 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.03 138.61 36.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.43 -0.794 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.538 ' C ' ' H ' ' B' ' 5' ' ' ILE . 63.9 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.293 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 -10.78 0.25 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' B' ' 3' ' ' ASP . 37.6 mt -60.0 -32.54 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.286 -1.126 . . . . 0.0 108.381 179.085 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.04 -39.12 84.81 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.31 -38.12 88.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.426 -0.796 . . . . 0.0 109.092 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -34.71 71.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.218 -0.926 . . . . 0.0 109.494 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.26 -40.06 88.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -40.03 88.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.353 -0.842 . . . . 0.0 110.546 -179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.48 0.03 57.39 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.037 -1.039 . . . . 0.0 110.725 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -48.9 -46.09 42.29 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.864 -1.147 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.372 179.315 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.51 -39.98 89.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.162 -0.961 . . . . 0.0 109.792 -179.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.28 -11.13 56.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 109.227 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 58.87 -136.16 0.87 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.527 -0.733 . . . . 0.0 110.44 179.156 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.9 m -83.77 -4.51 58.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.509 -0.745 . . . . 0.0 110.65 -178.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.75 76.19 7.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.798 -179.237 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.52 -24.82 62.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.865 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.16 -39.92 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.79 88.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.201 -0.937 . . . . 0.0 109.364 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.16 -42.23 99.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 179.505 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.04 79.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 109.812 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 41.3 t -65.51 -38.53 89.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.045 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.43 -40.12 77.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 0.0 110.256 -179.329 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -93.54 0.21 56.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.128 -0.983 . . . . 0.0 109.552 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' B' ' 24' ' ' SER . 10.0 m120 52.02 46.27 26.89 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.0 110.268 179.073 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.48 152.69 47.34 Favored Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.406 -0.808 . . . . 0.0 109.457 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' B' ' 31' ' ' VAL . 74.5 Cg_endo -73.89 150.01 43.27 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.116 1.877 . . . . 0.0 111.47 179.34 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.02 -23.41 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.325 2.016 . . . . 0.0 113.257 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.03 -52.75 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.86 -1.15 . . . . 0.0 110.546 -178.491 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.75 -39.97 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.172 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.9 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.485 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.99 -40.01 87.72 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.184 -0.948 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.17 -40.11 92.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.191 -0.943 . . . . 0.0 110.364 -179.035 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 36' ' ' ILE . 96.7 mt -60.52 -41.71 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.866 -1.146 . . . . 0.0 108.569 -179.752 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.13 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 177.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.43 -26.14 64.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.755 -0.591 . . . . 0.0 110.407 -179.646 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.5 m -91.74 -33.71 14.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.982 -1.074 . . . . 0.0 109.723 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.65 126.01 25.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.066 -1.021 . . . . 0.0 108.567 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -75.12 -34.08 61.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 110.183 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.37 -40.08 74.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.7 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.8 m -85.41 1.18 49.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.011 -1.056 . . . . 0.0 109.671 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.08 -71.14 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -1.0 . . . . 0.0 109.035 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 0.0 109.199 179.803 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.743 0.782 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -94.45 145.8 24.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.559 -0.713 . . . . 0.0 110.288 -179.572 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.01 -39.91 87.43 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.876 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.56 -17.96 0.31 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.265 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' ASP . 78.7 mt -60.09 -40.81 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.473 -1.016 . . . . 0.0 108.775 179.035 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.22 -40.06 92.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -66.31 -37.77 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.86 71.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.391 -0.818 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -42.03 93.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 108.931 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.61 -39.99 95.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.568 -0.708 . . . . 0.0 109.933 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.82 8.5 40.92 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.339 -0.851 . . . . 0.0 110.01 -178.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.39 -47.03 56.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.186 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -37.21 81.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 109.766 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -60.47 -36.98 79.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.21 -15.59 49.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.827 -1.171 . . . . 0.0 109.697 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 57.64 -136.95 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.405 -0.809 . . . . 0.0 109.755 179.724 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -83.01 -5.99 59.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.98 -179.709 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -81.08 72.75 8.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.066 -1.021 . . . . 0.0 109.673 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -23.97 63.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.0 -40.32 88.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.215 -0.928 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.23 89.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.101 -0.999 . . . . 0.0 109.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 ttp -62.94 -42.27 99.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.917 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.39 -40.04 85.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 t -67.03 -38.34 85.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.264 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.95 -40.13 79.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.164 -0.96 . . . . 0.0 109.933 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.82 -0.75 47.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.25 -0.906 . . . . 0.0 109.071 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 m120 51.97 49.3 21.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 0.0 109.973 179.53 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.32 125.68 27.99 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.558 -0.714 . . . . 0.0 109.9 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 88.5 Cg_exo -46.91 149.11 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.505 1.47 . . . . 0.0 111.622 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.41 -20.72 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.422 2.081 . . . . 0.0 113.395 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.0 -52.55 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.753 -1.217 . . . . 0.0 111.188 -178.01 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -72.31 -39.95 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.035 -1.04 . . . . 0.0 110.675 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.92 83.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.975 -1.078 . . . . 0.0 108.923 -178.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.03 -40.02 87.91 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 109.774 178.692 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.32 -40.49 97.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 110.339 -179.092 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 36' ' ' ILE . 96.8 mt -60.23 -41.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.726 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.19 -40.03 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 177.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.562 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.63 -18.3 58.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.667 -0.646 . . . . 0.0 109.962 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -93.4 -37.46 11.97 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.857 -1.152 . . . . 0.0 109.223 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.6 t -60.09 130.72 48.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 108.807 179.173 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.97 -26.16 48.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 109.968 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -42.99 62.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.983 . . . . 0.0 110.173 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.5 -3.52 58.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.995 -1.066 . . . . 0.0 110.272 -179.549 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.8 tp-100 -70.03 -59.96 2.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.04 -1.037 . . . . 0.0 109.81 -179.543 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.202 -0.936 . . . . 0.0 109.072 179.876 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.631 0.729 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.34 145.8 24.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.626 -0.671 . . . . 0.0 110.332 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 178.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.37 -18.14 0.3 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' B' ' 3' ' ' ASP . 78.2 mt -60.06 -40.83 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.389 -1.065 . . . . 0.0 108.742 179.123 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.24 -39.96 92.25 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.44 -37.62 85.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.42 -0.8 . . . . 0.0 108.968 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.76 71.59 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 0.0 109.396 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.99 -42.09 93.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.52 -40.0 95.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.558 -0.714 . . . . 0.0 109.929 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.81 8.53 40.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.394 -0.816 . . . . 0.0 109.962 -178.671 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -50.32 -47.03 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 179.59 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.93 -37.25 81.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.543 -0.723 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -60.36 -37.09 79.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 -179.051 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.94 -15.67 50.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.944 -1.098 . . . . 0.0 109.776 -179.258 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 57.62 -137.24 0.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.391 -0.818 . . . . 0.0 109.716 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -82.74 -6.04 59.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 110.04 -179.69 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.07 72.75 8.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.975 -1.078 . . . . 0.0 109.559 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -70.0 -23.95 63.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.148 -0.97 . . . . 0.0 109.352 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.13 -40.25 89.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.11 89.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 49.1 ttp -63.03 -42.19 99.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.96 179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.46 -40.06 85.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.553 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -66.97 -38.38 85.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.443 -0.785 . . . . 0.0 110.306 -179.481 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.04 -40.06 78.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.967 . . . . 0.0 109.917 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.85 -0.77 47.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 109.0 179.399 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.9 m120 52.06 49.21 21.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.946 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -117.23 125.65 28.03 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' B' ' 31' ' ' VAL . 89.1 Cg_exo -46.88 149.23 3.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.485 1.457 . . . . 0.0 111.61 178.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.61 -20.64 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.337 2.024 . . . . 0.0 113.336 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.5 t -60.04 -52.6 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.757 -1.215 . . . . 0.0 111.178 -178.008 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.98 -40.08 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.799 -1.188 . . . . 0.0 110.79 -178.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.07 83.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 108.962 -178.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.95 -40.05 87.67 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.727 178.721 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.36 -40.04 96.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.26 -179.144 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 36' ' ' ILE . 96.7 mt -60.72 -41.24 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.815 -1.178 . . . . 0.0 107.831 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.47 -40.0 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.14 61.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.731 -0.606 . . . . 0.0 109.961 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -92.47 -37.21 12.66 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.05 -1.032 . . . . 0.0 109.353 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.18 130.88 48.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 108.865 179.129 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.14 -26.23 47.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -0.998 . . . . 0.0 109.863 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -43.03 62.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.978 . . . . 0.0 110.231 -179.225 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -84.44 -3.45 58.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.014 -1.053 . . . . 0.0 110.217 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -70.06 -60.03 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.028 -1.045 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.288 -0.883 . . . . 0.0 109.119 179.922 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.0 mt -101.25 140.07 36.06 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.622 0.725 . . . . 0.0 111.263 -178.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 5' ' ' ILE . 96.1 m-20 -60.07 -39.67 86.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.419 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.99 -12.36 0.15 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.349 -1.501 . . . . 0.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' A' ' 3' ' ' ASP . 39.0 mt -59.94 -33.2 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.384 -1.068 . . . . 0.0 108.322 178.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.97 -38.94 83.98 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.654 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 64.6 tttm -62.17 -39.42 92.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.459 -0.775 . . . . 0.0 109.361 179.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.43 70.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 109.759 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.19 -40.8 91.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.956 -1.09 . . . . 0.0 109.305 179.66 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.99 -39.94 91.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.428 -0.795 . . . . 0.0 109.904 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 7' ' ' LYS . 97.7 mt-10 -91.18 0.54 57.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.323 -0.861 . . . . 0.0 110.602 -178.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.71 -44.97 38.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.599 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.45 -36.24 77.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.253 -0.905 . . . . 0.0 110.066 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.3 -37.31 87.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 0.0 109.923 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.65 -11.93 46.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.936 -1.103 . . . . 0.0 109.227 179.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 m80 57.97 -138.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.605 -0.684 . . . . 0.0 110.167 179.287 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.44 -0.84 51.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.046 -179.342 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.61 76.69 7.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.005 . . . . 0.0 109.572 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -26.93 64.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.929 . . . . 0.0 109.954 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -40.05 88.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 110.073 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.1 86.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.7 ttp -63.19 -40.37 97.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.308 -0.87 . . . . 0.0 109.611 179.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.06 -40.02 83.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.047 -1.033 . . . . 0.0 109.626 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -68.71 -34.4 75.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.199 -0.938 . . . . 0.0 109.894 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -69.66 -43.42 72.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.178 -0.951 . . . . 0.0 109.593 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.78 -0.26 54.34 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.454 -0.779 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.5 m120 51.39 48.56 22.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.0 109.871 179.726 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 mt -115.81 150.77 45.46 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.47 153.32 49.87 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.06 1.84 . . . . 0.0 112.048 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -41.01 -26.9 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.663 2.242 . . . . 0.0 113.437 179.662 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -49.95 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.872 -1.143 . . . . 0.0 110.515 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.37 -40.89 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 110.001 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.99 71.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.138 -0.976 . . . . 0.0 109.575 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.08 -39.88 87.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 179.169 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.68 -40.43 92.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 -179.451 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.417 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -60.73 -41.39 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.027 -1.046 . . . . 0.0 108.435 -179.873 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.6 -40.1 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.308 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -20.82 56.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -47.24 8.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.925 -1.109 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.67 130.05 44.94 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.21 -28.54 42.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 110.399 -179.009 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.89 -45.32 51.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.093 -1.005 . . . . 0.0 110.818 -178.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 -27.46 54.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.924 -1.11 . . . . 0.0 109.954 -179.436 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -78.98 -69.57 0.56 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.965 . . . . 0.0 108.896 179.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.376 -0.828 . . . . 0.0 109.202 179.832 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 mt -101.19 139.96 36.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.537 -0.727 . . . . 0.0 111.367 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.9 m-20 -59.98 -39.75 86.76 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.2 -12.24 0.16 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 38.6 mt -59.93 -33.23 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.327 -1.102 . . . . 0.0 108.291 178.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.9 -39.01 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' B' ' 11' ' ' GLU . 64.6 tttm -62.04 -39.44 92.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.525 -0.735 . . . . 0.0 109.413 179.707 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -34.54 71.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.0 109.742 -179.604 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.12 -40.62 90.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.01 -40.03 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.473 -0.767 . . . . 0.0 109.897 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' B' ' 7' ' ' LYS . 97.7 mt-10 -91.29 0.68 57.48 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.303 -0.873 . . . . 0.0 110.476 -178.794 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.9 -44.76 40.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.644 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.49 -36.43 78.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.943 . . . . 0.0 109.942 179.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.32 -37.18 86.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.138 -0.976 . . . . 0.0 109.964 -179.025 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -87.73 -12.13 46.14 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.942 -1.099 . . . . 0.0 109.115 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 58.18 -138.59 0.84 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.633 . . . . 0.0 110.037 179.226 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.39 -0.87 51.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 110.046 -179.242 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.55 76.71 7.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.624 -179.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.08 -26.98 64.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.863 179.774 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.131 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.21 86.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.089 -1.007 . . . . 0.0 109.405 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 51.6 ttp -63.09 -40.34 97.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.636 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.06 -40.06 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.113 . . . . 0.0 109.597 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t -68.73 -34.32 75.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.285 -0.884 . . . . 0.0 109.926 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.64 -43.55 72.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.636 -179.249 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.86 -0.25 54.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.525 -0.735 . . . . 0.0 109.348 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.6 m120 51.46 48.53 22.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.213 -0.93 . . . . 0.0 109.872 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -115.81 150.82 45.55 Favored Pre-proline 0 N--CA 1.5 2.048 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.5 153.25 49.68 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.088 1.859 . . . . 0.0 111.966 179.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.98 -26.81 0.28 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.634 2.223 . . . . 0.0 113.386 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -49.91 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 110.648 -178.353 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.47 -40.74 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 110.024 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.83 72.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.97 . . . . 0.0 109.561 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.04 -39.97 87.78 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.65 179.143 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.73 -40.43 92.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.062 -179.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 HG22 ' B' ' 36' ' ' ILE . 96.5 mt -60.78 -41.54 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.975 -1.078 . . . . 0.0 108.448 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.47 -39.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.268 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -20.79 56.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.508 -0.745 . . . . 0.0 109.897 -179.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.37 -47.14 9.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.08 -1.012 . . . . 0.0 108.995 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.84 129.82 43.73 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.88 -28.83 44.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.031 -1.043 . . . . 0.0 110.364 -179.077 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.94 -45.05 52.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.027 -1.046 . . . . 0.0 110.892 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.7 m -77.15 -27.22 53.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.93 -1.106 . . . . 0.0 109.95 -179.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -79.25 -69.56 0.57 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.19 -0.944 . . . . 0.0 108.863 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.836 . . . . 0.0 109.206 179.895 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -103.99 147.49 27.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.485 0.659 . . . . 0.0 110.098 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 94.1 m-20 -59.96 -39.99 87.49 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.638 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.83 -18.94 0.14 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.4 mt -60.1 -41.44 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.601 -0.941 . . . . 0.0 109.307 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.078 -1.014 . . . . 0.0 108.534 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.51 -38.96 92.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.509 -0.744 . . . . 0.0 109.168 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.46 77.57 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.184 -0.948 . . . . 0.0 109.187 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -44.6 94.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.165 -0.959 . . . . 0.0 109.576 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 110.322 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.91 9.55 38.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 109.94 -179.036 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -47.01 -40.6 14.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.146 -0.971 . . . . 0.0 109.719 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.6 mt-10 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 0.0 110.09 179.799 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.1 -39.83 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.973 . . . . 0.0 110.184 -178.866 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -84.65 -23.6 29.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 109.572 -179.655 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 97.9 m-70 56.92 -127.19 1.87 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.404 -0.81 . . . . 0.0 109.878 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -88.6 -0.53 57.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.217 -0.927 . . . . 0.0 110.186 -179.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.05 73.52 6.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 109.639 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -69.95 -25.77 63.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.32 -40.82 91.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.096 -1.002 . . . . 0.0 110.317 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.9 88.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 108.811 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.5 ttm -59.99 -47.57 85.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.716 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.79 -39.99 82.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.138 -0.976 . . . . 0.0 109.263 -179.715 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.0 m -64.27 -39.83 94.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.492 -0.755 . . . . 0.0 110.173 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.75 69.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.305 -178.588 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.67 -0.01 56.26 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.283 -0.885 . . . . 0.0 109.679 -179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 17.9 m120 53.61 48.09 22.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.31 -0.869 . . . . 0.0 110.642 178.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.83 152.42 56.07 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.461 -0.775 . . . . 0.0 108.932 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.04 157.93 58.25 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.8 1.667 . . . . 0.0 111.75 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -44.19 -21.18 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.513 2.142 . . . . 0.0 112.663 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -49.99 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.57 -42.57 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.904 -1.123 . . . . 0.0 111.021 -178.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.14 74.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.81 -1.181 . . . . 0.0 109.411 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.11 -39.97 88.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.205 -0.934 . . . . 0.0 110.018 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.39 -39.9 94.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 110.194 -179.127 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.52 -40.49 84.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.01 -39.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.21 19.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.59 -0.694 . . . . 0.0 109.652 -179.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -88.22 -46.27 9.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.027 . . . . 0.0 109.123 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.07 128.19 35.57 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 108.74 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.52 -23.22 46.39 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.083 -1.011 . . . . 0.0 109.812 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.07 -49.28 14.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.276 -0.89 . . . . 0.0 111.029 -179.569 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -77.48 -24.93 50.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 111.213 -178.333 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.65 -41.77 75.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.804 -1.185 . . . . 0.0 110.347 -178.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 0.0 109.357 -179.77 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -104.11 147.56 27.28 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.546 0.688 . . . . 0.0 109.978 -179.682 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.0 m-20 -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.77 -19.08 0.14 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 3' ' ' ASP . 76.5 mt -60.0 -41.52 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.401 -1.058 . . . . 0.0 109.361 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -60.01 -39.91 87.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -0.996 . . . . 0.0 108.571 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.61 -38.99 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.555 -0.715 . . . . 0.0 109.228 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.5 77.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.863 . . . . 0.0 109.221 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.95 -44.7 94.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.02 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.77 -39.98 90.8 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.813 . . . . 0.0 110.375 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.82 9.52 38.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.136 -0.978 . . . . 0.0 109.959 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t -47.03 -40.49 14.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.809 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.5 mt-10 -60.11 -39.82 87.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.895 . . . . 0.0 110.031 179.888 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.17 -39.94 88.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 110.138 -178.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.66 -23.49 29.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.928 -1.108 . . . . 0.0 109.585 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 97.9 m-70 56.86 -127.47 1.87 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.48 -0.763 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -88.28 -0.58 57.29 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.206 -0.934 . . . . 0.0 110.255 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.02 73.53 6.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.989 -1.069 . . . . 0.0 109.658 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -70.09 -25.59 63.59 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.22 -0.925 . . . . 0.0 109.602 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.63 -40.68 92.83 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.106 -0.997 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 88.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.879 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.8 ttm -59.98 -47.71 84.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 0.0 109.683 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.77 -39.98 82.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.179 -179.7 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 64.8 m -64.14 -39.86 94.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.79 69.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.184 -0.947 . . . . 0.0 110.314 -178.627 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.64 0.01 56.32 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.207 -0.933 . . . . 0.0 109.637 -179.715 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.9 m120 53.51 48.1 22.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.338 -0.851 . . . . 0.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 30.9 mt -120.85 152.36 56.04 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.94 158.0 58.18 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.881 1.721 . . . . 0.0 111.687 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -44.27 -21.26 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.387 2.058 . . . . 0.0 112.728 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -49.99 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -75.27 -42.52 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.7 -1.25 . . . . 0.0 111.075 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.23 74.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.729 -1.232 . . . . 0.0 109.413 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.213 -0.929 . . . . 0.0 110.015 179.182 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.29 -40.18 95.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.168 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.42 -40.01 82.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.39 -39.93 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.417 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.46 -20.37 19.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 109.679 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.9 m -87.99 -46.48 9.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.132 -0.98 . . . . 0.0 109.12 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.0 128.17 35.51 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.256 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.43 -23.32 46.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.636 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.14 -49.21 14.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.182 -0.949 . . . . 0.0 111.085 -179.572 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.6 m -77.23 -25.15 51.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.168 -0.958 . . . . 0.0 111.253 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -69.4 -42.06 75.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.827 -1.171 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.099 -1.0 . . . . 0.0 109.389 -179.568 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.99 139.86 33.2 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.705 0.764 . . . . 0.0 110.725 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.8 m-20 -59.99 -39.28 85.19 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -14.92 0.08 OUTLIER Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' ASP . 36.1 mt -58.47 -35.0 52.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.33 -0.856 . . . . 0.0 109.057 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 108.969 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.97 74.86 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 0.0 109.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -60.1 -39.95 87.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.196 -0.94 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.398 -0.814 . . . . 0.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -93.34 3.86 54.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.178 -0.951 . . . . 0.0 110.449 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -48.95 -41.99 35.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.937 -1.102 . . . . 0.0 109.189 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.3 tt0 -60.06 -39.98 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.208 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.11 -39.98 92.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.775 . . . . 0.0 109.65 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -87.32 -14.49 40.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.002 . . . . 0.0 109.487 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 67.5 m-70 58.08 -134.68 1.05 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 0.0 110.56 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -86.11 -0.14 54.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 110.172 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.77 75.57 6.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.014 -1.054 . . . . 0.0 109.321 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.98 -27.2 64.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.306 -0.871 . . . . 0.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.01 -40.99 91.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.975 . . . . 0.0 109.881 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.9 81.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.428 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.8 ttp -63.54 -40.49 97.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.195 -0.941 . . . . 0.0 109.762 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.55 -40.1 82.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.919 -1.113 . . . . 0.0 109.219 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.7 m -65.21 -40.0 93.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.443 -0.786 . . . . 0.0 110.146 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -68.58 -40.0 80.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.152 -0.968 . . . . 0.0 110.019 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.81 -1.7 45.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.744 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.8 m120 51.03 47.92 24.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.176 -0.952 . . . . 0.0 110.495 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -114.37 151.42 45.09 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.454 -0.779 . . . . 0.0 109.114 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.7 Cg_endo -70.09 149.33 64.61 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.881 1.721 . . . . 0.0 111.535 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.25 -22.89 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.133 1.888 . . . . 0.0 112.526 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -60.02 -53.17 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.001 . . . . 0.0 110.073 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.16 -40.01 57.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.216 -0.927 . . . . 0.0 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.8 68.1 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.1 -1.0 . . . . 0.0 109.358 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.04 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.045 -1.034 . . . . 0.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 16.1 tm-20 -62.12 -40.0 94.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.804 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.02 -40.1 82.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.12 -40.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.14 -19.74 63.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.868 -0.52 . . . . 0.0 110.717 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.4 m -95.3 -35.12 11.92 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.942 -1.099 . . . . 0.0 109.734 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -59.99 133.6 56.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.927 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.07 -27.69 48.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 110.483 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.31 -43.1 34.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.952 -1.093 . . . . 0.0 110.868 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -85.55 1.13 50.3 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -0.984 . . . . 0.0 110.979 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -62.89 -49.98 72.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.908 -1.12 . . . . 0.0 109.576 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.16 137.32 32.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.19 -0.944 . . . . 0.0 109.425 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -78.76 131.36 36.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.108 -0.995 . . . . 0.0 109.306 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.86 -141.46 19.38 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -86.62 -102.95 0.07 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.052 -1.264 . . . . 0.0 109.162 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.29 -135.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.7 mtt -80.04 -9.73 59.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -85.05 115.16 22.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 109.681 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.48 -169.74 41.48 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 4.4 mp0 -81.64 116.41 21.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.088 -1.242 . . . . 0.0 109.207 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 7.5 p -143.76 130.0 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.41 -0.806 . . . . 0.0 109.497 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 83.0 m-20 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.365 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -97.95 139.93 33.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.41 -0.806 . . . . 0.0 110.665 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.0 m-20 -60.04 -39.31 85.47 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.57 -14.89 0.08 OUTLIER Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' B' ' 3' ' ' ASP . 36.3 mt -58.5 -35.0 52.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.96 -40.06 87.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.058 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.97 -39.94 95.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 108.974 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.13 74.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.0 88.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.817 . . . . 0.0 110.355 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -93.37 3.93 54.81 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.094 -1.004 . . . . 0.0 110.454 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.94 -42.14 36.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.87 -1.144 . . . . 0.0 109.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.447 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.423 -0.798 . . . . 0.0 109.252 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.462 -0.774 . . . . 0.0 109.713 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -87.13 -14.6 40.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.077 -1.015 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 67.2 m-70 58.12 -134.57 1.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.404 -0.81 . . . . 0.0 110.585 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -86.14 -0.22 55.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.17 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.76 75.73 6.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.04 . . . . 0.0 109.3 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.99 -27.32 64.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.831 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.91 81.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.194 -0.941 . . . . 0.0 109.436 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.47 -40.41 97.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.61 -40.12 82.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.005 -1.059 . . . . 0.0 109.155 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.1 m -65.17 -40.05 93.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.45 -0.781 . . . . 0.0 110.139 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.61 -39.94 80.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 110.018 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -96.87 -1.7 45.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.0 109.663 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.9 m120 51.04 47.96 23.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.194 -0.942 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -114.42 151.4 45.12 Favored Pre-proline 0 N--CA 1.501 2.081 0 O-C-N 121.412 -0.805 . . . . 0.0 109.106 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.5 Cg_endo -70.1 149.38 64.61 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.874 1.716 . . . . 0.0 111.577 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -41.28 -22.88 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.114 1.876 . . . . 0.0 112.527 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 29' ' ' PRO . 79.6 t -60.08 -53.17 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.098 -1.002 . . . . 0.0 110.076 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.1 -39.93 57.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.262 -0.899 . . . . 0.0 109.889 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.83 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.176 -0.953 . . . . 0.0 109.404 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.12 -39.94 88.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.017 . . . . 0.0 109.591 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 16.1 tm-20 -62.17 -39.99 94.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.357 -0.839 . . . . 0.0 110.756 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.97 -40.06 81.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 107.961 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.08 -40.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 -19.64 63.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.869 -0.519 . . . . 0.0 110.728 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 62.6 m -95.2 -35.19 11.94 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.935 -1.103 . . . . 0.0 109.819 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.3 t -59.97 133.54 56.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.246 -0.908 . . . . 0.0 108.999 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.04 -27.78 48.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 110.477 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -77.21 -43.11 34.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 0.0 110.918 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.57 0.95 51.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.128 -0.982 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.8 -49.97 72.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 109.562 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.5 mt -90.12 137.32 32.44 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.449 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -78.74 131.49 36.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.103 -0.998 . . . . 0.0 109.286 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.8 -141.45 19.08 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -86.63 -102.79 0.07 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.077 -1.249 . . . . 0.0 109.267 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.33 -135.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.313 -0.867 . . . . 0.0 109.38 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtt -79.96 -9.9 59.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.368 -0.832 . . . . 0.0 109.444 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -84.73 115.38 22.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 109.774 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -169.74 41.6 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 4.4 mp0 -81.65 116.28 21.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.073 -1.251 . . . . 0.0 109.225 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.437 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 7.6 p -143.66 129.96 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.351 -0.843 . . . . 0.0 109.47 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 83.2 m-20 . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.414 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -101.17 137.89 38.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.774 . . . . 0.0 110.894 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 5' ' ' ILE . 64.2 t0 -59.96 -38.34 82.19 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.01 -9.6 0.22 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 3' ' ' ASP . 25.6 mt -58.36 -34.38 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -1.109 . . . . 0.0 108.433 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.12 -39.6 86.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.132 -0.98 . . . . 0.0 108.906 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.18 -37.4 80.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.448 -0.783 . . . . 0.0 109.525 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.17 72.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -59.99 -40.09 87.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.021 -1.05 . . . . 0.0 109.72 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.89 -39.95 91.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -95.05 2.37 55.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.131 -0.98 . . . . 0.0 110.525 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.25 -44.19 53.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.904 -1.122 . . . . 0.0 110.174 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.18 -0.95 . . . . 0.0 109.636 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.15 -35.09 77.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 109.762 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -86.88 -12.84 46.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.027 -1.046 . . . . 0.0 109.688 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 58.93 -139.48 0.75 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.18 0.44 51.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.27 -0.894 . . . . 0.0 110.21 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 82.66 6.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -71.52 -23.86 61.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 109.401 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.04 -40.13 88.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.962 . . . . 0.0 110.178 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.76 92.42 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.038 -1.039 . . . . 0.0 108.558 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttm -60.09 -46.15 90.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.8 . . . . 0.0 109.192 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.55 -39.99 85.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.486 -0.759 . . . . 0.0 109.793 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -67.6 -40.02 84.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 110.697 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -98.72 0.62 44.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.281 -0.887 . . . . 0.0 109.277 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ALA . 16.0 m120 52.84 41.46 31.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.774 . . . . 0.0 110.316 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 mt -108.58 151.72 41.78 Favored Pre-proline 0 N--CA 1.501 2.095 0 O-C-N 121.282 -0.886 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.2 152.76 56.45 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.86 1.706 . . . . 0.0 111.734 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -42.49 -23.33 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.236 1.957 . . . . 0.0 112.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.041 -1.037 . . . . 0.0 110.223 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.69 -43.15 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 110.767 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.41 77.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.93 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.34 -40.09 92.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.116 -0.99 . . . . 0.0 109.607 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -61.23 -39.98 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.062 -1.024 . . . . 0.0 108.452 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.69 -40.21 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -63.03 -16.25 59.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.628 -0.67 . . . . 0.0 109.883 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -95.05 -37.61 11.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.094 -1.004 . . . . 0.0 109.81 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.1 133.03 55.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.094 -1.004 . . . . 0.0 108.889 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.34 -28.64 47.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.161 -0.962 . . . . 0.0 109.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.6 64.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 110.457 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.37 2.19 51.1 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.993 -1.067 . . . . 0.0 110.483 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.04 -70.07 0.51 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 109.348 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.8 mt -82.08 149.52 28.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.445 -0.784 . . . . 0.0 109.899 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' GLY . 97.9 mttt -77.41 173.83 11.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.433 -0.792 . . . . 0.0 109.645 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . -40.99 -92.67 0.01 OUTLIER Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.89 -3.68 57.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.077 -1.249 . . . . 0.0 110.465 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 51' ' ' HIS . . . 47.78 -143.15 0.42 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.909 -1.12 . . . . 0.0 109.807 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.8 ttt 40.0 -88.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.681 -0.637 . . . . 0.0 111.26 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.4 m-70 -82.58 164.73 20.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.004 -1.06 . . . . 0.0 110.378 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.89 14.61 57.68 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -79.05 150.28 31.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -1.179 . . . . 0.0 109.402 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.44 -7.22 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.32 -0.862 . . . . 0.0 109.871 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.575 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.18 137.92 38.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' B' ' 5' ' ' ILE . 64.2 t0 -59.99 -38.38 82.43 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 -9.58 0.22 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.556 ' H ' ' C ' ' B' ' 3' ' ' ASP . 25.6 mt -58.29 -34.47 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.331 -1.099 . . . . 0.0 108.584 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -59.89 -39.69 86.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 0.0 108.86 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.28 -37.38 80.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.429 -0.794 . . . . 0.0 109.495 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.04 72.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.521 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.985 -1.072 . . . . 0.0 109.724 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.91 -40.07 91.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.283 -0.886 . . . . 0.0 110.443 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -94.94 2.41 55.38 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.094 -1.004 . . . . 0.0 110.682 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.4 -44.06 54.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 110.232 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -0.92 . . . . 0.0 109.644 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.17 -34.92 77.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.704 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -87.05 -12.86 46.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.971 -1.081 . . . . 0.0 109.703 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 58.96 -139.57 0.74 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.391 -0.818 . . . . 0.0 110.068 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.04 0.24 52.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.91 82.79 5.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.089 . . . . 0.0 109.817 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -71.51 -23.96 61.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.88 -40.15 87.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.042 -1.036 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.8 92.62 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 108.625 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 34.1 ttm -60.02 -46.0 90.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.47 -0.769 . . . . 0.0 109.345 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.78 -39.98 86.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.65 -39.93 84.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 110.726 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.0 -39.96 75.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -0.922 . . . . 0.0 110.335 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -98.78 0.55 44.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 0.0 109.229 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 16.0 m120 52.96 41.36 32.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.768 . . . . 0.0 110.354 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.54 151.55 41.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.12 152.79 56.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.792 1.661 . . . . 0.0 111.634 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.41 -23.37 0.29 Allowed 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.221 1.948 . . . . 0.0 112.734 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -50.0 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.043 -1.036 . . . . 0.0 110.305 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -42.91 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.948 -1.095 . . . . 0.0 110.795 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.187 -0.946 . . . . 0.0 109.983 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.21 -40.03 92.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.595 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.425 HD11 HG22 ' B' ' 36' ' ' ILE . 96.6 mt -61.24 -40.18 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.017 -1.052 . . . . 0.0 108.458 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -16.35 59.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.654 -0.654 . . . . 0.0 109.852 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -94.93 -37.79 11.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.994 -1.066 . . . . 0.0 109.827 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.96 133.12 55.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.133 -0.98 . . . . 0.0 108.81 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.48 -28.62 46.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.096 -1.002 . . . . 0.0 109.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.59 64.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 110.507 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.29 2.05 51.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.083 -1.011 . . . . 0.0 110.52 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.465 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.1 tp60 -77.99 -70.02 0.51 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.914 -1.116 . . . . 0.0 109.409 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.02 149.63 28.01 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.451 -0.78 . . . . 0.0 109.909 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 47' ' ' GLY . 97.9 mttt -77.49 173.82 11.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.402 -0.811 . . . . 0.0 109.498 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . -41.12 -92.63 0.01 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.404 -1.079 . . . . 0.0 110.404 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.78 -3.81 57.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.183 -1.186 . . . . 0.0 110.472 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 51' ' ' HIS . . . 47.84 -143.1 0.43 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.874 -1.141 . . . . 0.0 109.8 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.0 ttt 39.93 -89.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.655 -0.653 . . . . 0.0 111.252 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' B' ' 49' ' ' ALA . 91.6 m-70 -81.79 164.4 21.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.049 -1.032 . . . . 0.0 110.483 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.05 14.69 57.34 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -79.03 150.23 31.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.183 -1.186 . . . . 0.0 109.373 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -93.36 -7.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 109.501 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.68 0.752 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.66 143.08 31.24 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.586 0.708 . . . . 0.0 110.644 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 5' ' ' ILE . 67.0 t0 -60.0 -39.32 85.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.63 -13.31 0.16 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' A' ' 3' ' ' ASP . 51.5 mt -59.9 -39.77 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.285 -1.127 . . . . 0.0 108.222 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -39.96 87.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.79 -39.99 95.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.692 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.55 -41.98 95.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.102 -0.999 . . . . 0.0 110.448 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.74 -40.01 93.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.0 110.112 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -95.55 7.75 45.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.328 -0.858 . . . . 0.0 110.42 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -50.6 -44.92 57.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.893 -1.129 . . . . 0.0 109.383 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.98 -37.39 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.42 -39.43 87.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.0 110.191 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -84.35 -17.87 38.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.003 -1.061 . . . . 0.0 109.773 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m80 58.04 -126.58 1.58 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.427 -0.795 . . . . 0.0 110.714 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 t -86.79 -3.68 59.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.423 -0.798 . . . . 0.0 110.829 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.07 72.42 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.793 -1.192 . . . . 0.0 109.736 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -69.91 -25.31 63.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.088 -1.007 . . . . 0.0 108.471 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.17 -40.17 88.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.795 . . . . 0.0 109.662 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.89 92.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 109.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.7 ttm -59.94 -47.03 87.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.869 . . . . 0.0 109.706 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.74 -41.51 91.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.99 -1.069 . . . . 0.0 109.451 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 m -64.78 -37.2 86.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 0.0 110.073 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 110.169 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -98.45 0.07 44.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.281 -0.887 . . . . 0.0 109.395 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.7 m120 54.69 45.57 26.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.493 -0.754 . . . . 0.0 110.59 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 mt -118.36 150.01 47.02 Favored Pre-proline 0 N--CA 1.501 2.119 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.7 Cg_endo -70.53 157.43 58.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.982 1.788 . . . . 0.0 112.202 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -42.08 -21.47 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.59 2.193 . . . . 0.0 112.794 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.97 -50.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.94 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -75.33 -43.0 43.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 110.307 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.02 83.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.038 -1.039 . . . . 0.0 109.714 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.0 -40.05 87.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.244 -0.91 . . . . 0.0 109.11 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.21 -40.01 96.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.091 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 HD11 HG22 ' A' ' 36' ' ' ILE . 96.6 mt -61.98 -40.35 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.968 -1.083 . . . . 0.0 108.301 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.45 -19.32 63.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.7 -0.625 . . . . 0.0 110.256 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -95.36 -34.07 12.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.088 -1.008 . . . . 0.0 110.247 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.95 136.41 58.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.955 -1.09 . . . . 0.0 109.044 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.88 -39.99 61.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.938 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.79 -39.99 72.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.043 -1.036 . . . . 0.0 111.656 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.27 0.43 41.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.739 -1.226 . . . . 0.0 110.438 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.54 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.3 tp-100 -78.9 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 109.547 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.95 140.48 31.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.69 130.98 35.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.145 -0.972 . . . . 0.0 108.938 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.83 -138.93 18.81 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.2 -77.93 0.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.466 -1.02 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.75 -50.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.937 . . . . 0.0 110.096 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttt -73.59 138.66 45.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.158 -0.964 . . . . 0.0 109.471 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -152.12 160.43 43.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.735 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.0 38.44 0.91 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.24 149.1 31.98 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.352 -1.087 . . . . 0.0 109.02 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.416 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 13.6 p -104.19 130.41 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.498 -0.751 . . . . 0.0 109.33 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 84.1 m-20 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.389 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.57 143.01 31.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.493 0.663 . . . . 0.0 110.607 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' B' ' 5' ' ' ILE . 66.7 t0 -59.99 -39.19 84.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 -13.13 0.17 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.6 mt -59.93 -39.87 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.298 -1.119 . . . . 0.0 108.101 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.86 -39.93 95.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.55 -0.719 . . . . 0.0 109.656 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.8 71.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.08 -1.013 . . . . 0.0 109.667 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.48 -42.05 95.47 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.01 -1.057 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.63 -39.98 93.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -95.6 7.75 45.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.314 -0.866 . . . . 0.0 110.508 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -50.55 -44.91 56.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.85 -1.156 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.02 -37.35 79.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.58 -39.31 87.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.227 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -84.29 -17.95 37.95 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.97 -1.081 . . . . 0.0 109.785 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.96 -126.67 1.6 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.502 -0.749 . . . . 0.0 110.755 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -86.76 -3.61 59.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.06 72.65 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.817 -1.177 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -70.03 -25.44 63.57 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.151 -0.968 . . . . 0.0 108.441 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.07 88.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.833 . . . . 0.0 109.726 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.92 92.36 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.386 -0.822 . . . . 0.0 109.099 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 27.8 ttm -60.0 -47.05 87.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 0.0 109.564 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.56 -41.71 90.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.976 -1.077 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -64.77 -37.1 86.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.04 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.25 -40.1 78.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.164 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -98.6 0.13 44.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.258 -0.901 . . . . 0.0 109.401 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.8 m120 54.72 45.59 26.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.565 -0.709 . . . . 0.0 110.501 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.41 150.01 47.09 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.8 Cg_endo -70.6 157.33 59.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.073 1.849 . . . . 0.0 112.213 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.92 -21.77 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.672 2.248 . . . . 0.0 112.919 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.0 t -59.98 -49.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.192 -0.943 . . . . 0.0 110.949 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.28 -43.03 43.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.95 -1.094 . . . . 0.0 110.242 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.96 83.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 109.799 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -59.96 -40.04 87.68 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.134 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -63.4 -39.99 96.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 0.0 110.118 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.83 -40.47 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.013 -1.054 . . . . 0.0 108.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.57 -39.98 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -18.87 63.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.763 -0.585 . . . . 0.0 110.293 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -95.51 -34.15 12.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.938 -1.101 . . . . 0.0 110.256 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.73 136.63 58.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.946 -1.096 . . . . 0.0 108.97 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -75.23 -39.94 59.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 110.919 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.73 -39.97 73.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.111 -0.993 . . . . 0.0 111.764 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -82.25 0.55 40.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.776 -1.203 . . . . 0.0 110.248 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.54 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.9 tp60 -79.1 -69.94 0.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.107 -0.996 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -83.96 140.37 31.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.54 130.96 35.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.114 -0.991 . . . . 0.0 109.045 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.05 -138.99 19.95 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.28 -78.11 0.36 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -1.091 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.62 -50.03 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.86 . . . . 0.0 110.0 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.9 ttt -73.35 138.89 45.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 109.509 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -152.3 160.13 43.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.707 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.68 38.49 0.93 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -79.31 148.86 31.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.26 -1.141 . . . . 0.0 109.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 13.4 p -103.92 130.38 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.504 -0.747 . . . . 0.0 109.332 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 84.2 m-20 . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.469 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.16 143.01 32.51 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.643 0.735 . . . . 0.0 111.294 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.9 m-20 -59.98 -38.32 82.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.37 -13.9 0.16 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.9 mt -60.04 -37.96 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -1.044 . . . . 0.0 108.663 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' HA ' HE21 ' A' ' 9' ' ' GLN . 93.5 m-20 -60.01 -39.28 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.261 -0.9 . . . . 0.0 109.158 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.31 -36.83 78.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.059 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.44 77.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 110.079 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' A' ' 6' ' ' ASP . 44.5 mt-30 -60.0 -41.07 91.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.115 . . . . 0.0 109.553 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.41 -40.08 89.68 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.283 -0.886 . . . . 0.0 109.517 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -96.63 5.38 50.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 111.162 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.88 -41.09 32.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.622 -1.299 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.04 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.334 -0.854 . . . . 0.0 109.171 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.58 -37.67 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.85 . . . . 0.0 110.013 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.14 -20.02 30.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.916 -1.115 . . . . 0.0 109.527 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m80 58.22 -138.27 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.486 -0.759 . . . . 0.0 110.349 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -0.89 53.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.391 -0.818 . . . . 0.0 109.821 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.67 76.78 8.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 0.0 108.969 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.05 -26.32 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.217 -0.927 . . . . 0.0 109.639 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.45 -42.17 95.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.152 -0.968 . . . . 0.0 110.371 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.44 79.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.12 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.0 ttp -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.358 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.4 -39.69 80.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.973 -1.08 . . . . 0.0 109.529 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 t -66.91 -38.44 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.55 -39.92 77.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.061 -1.024 . . . . 0.0 109.961 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.6 -5.73 45.13 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.124 -0.985 . . . . 0.0 109.075 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.2 m120 52.96 43.1 32.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.392 -0.817 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -109.28 127.7 26.75 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.28 -0.888 . . . . 0.0 109.573 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.3 Cg_exo -44.64 145.46 2.71 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.663 1.575 . . . . 0.0 112.113 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.94 -20.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.631 2.221 . . . . 0.0 113.534 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.5 t -59.92 -50.49 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.85 -1.156 . . . . 0.0 110.565 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.41 -42.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.02 -1.05 . . . . 0.0 110.441 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -51.15 70.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.15 -39.95 88.17 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.3 tm-20 -60.04 -43.55 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.828 . . . . 0.0 110.218 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.41 -47.92 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.966 -1.084 . . . . 0.0 108.594 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.24 -46.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.217 -0.927 . . . . 0.0 108.807 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.28 -20.15 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.586 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 58.5 m -95.61 -31.54 13.23 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.1 -1.0 . . . . 0.0 109.417 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.83 133.44 56.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.133 -0.979 . . . . 0.0 108.511 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.14 -29.76 54.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.751 -1.218 . . . . 0.0 110.659 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.01 -46.74 27.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 111.176 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.17 -22.66 38.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.959 -1.088 . . . . 0.0 111.531 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.5 tt0 -69.56 -58.18 4.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.771 -1.206 . . . . 0.0 110.016 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 47' ' ' GLY . 88.9 mt -80.83 153.53 27.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.06 -1.025 . . . . 0.0 108.537 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -75.9 20.2 0.19 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.094 -1.004 . . . . 0.0 109.962 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . 94.56 -92.73 1.57 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -82.89 129.61 35.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.161 -1.2 . . . . 0.0 109.469 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -78.87 -3.32 44.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.266 -0.896 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -69.97 144.6 52.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 110.459 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.546 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 7.5 p80 -89.27 11.74 18.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.706 -0.621 . . . . 0.0 109.462 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.0 97.34 0.82 Allowed Glycine 0 N--CA 1.488 2.167 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 51' ' ' HIS . 13.9 mp0 -79.15 149.37 32.02 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -1.17 . . . . 0.0 108.999 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.38 -19.21 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.148 -0.97 . . . . 0.0 109.708 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.15 142.99 32.53 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.689 0.757 . . . . 0.0 111.275 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.56 -13.91 0.18 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' B' ' 3' ' ' ASP . 46.4 mt -59.95 -38.12 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.47 -1.018 . . . . 0.0 108.655 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.04 -39.25 85.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.37 -0.831 . . . . 0.0 109.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.16 -36.97 78.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 0.0 109.029 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.47 77.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.0 110.098 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -59.94 -41.04 90.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.823 -1.173 . . . . 0.0 109.519 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.51 -39.99 89.79 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.499 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -96.64 5.41 50.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 111.165 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.98 -41.05 32.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.303 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.03 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.212 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.45 -37.83 84.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 110.068 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.91 -20.22 31.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.048 . . . . 0.0 109.551 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.7 m80 58.24 -138.69 0.83 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.404 -0.81 . . . . 0.0 110.302 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -83.32 -1.01 52.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.501 -0.749 . . . . 0.0 109.915 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.66 76.88 8.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.049 -1.032 . . . . 0.0 109.013 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.09 -26.71 64.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.292 -0.88 . . . . 0.0 109.606 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.11 79.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.022 -1.049 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -60.98 -43.62 98.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.37 -39.84 80.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.0 -1.062 . . . . 0.0 109.575 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.3 t -66.8 -38.14 85.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 0.0 110.091 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.85 -39.94 76.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.065 . . . . 0.0 109.914 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.68 -5.76 44.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.107 -0.996 . . . . 0.0 109.081 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 27.4 m120 53.02 43.09 32.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.356 -0.84 . . . . 0.0 110.601 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.32 127.67 26.8 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.304 -0.873 . . . . 0.0 109.587 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 98.6 Cg_exo -44.71 145.57 2.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.578 1.519 . . . . 0.0 112.102 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -39.04 -20.55 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.649 2.232 . . . . 0.0 113.607 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.8 t -59.98 -50.41 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.148 . . . . 0.0 110.624 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.51 -42.38 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.999 -1.063 . . . . 0.0 110.397 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.91 71.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.001 -1.062 . . . . 0.0 109.416 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -60.28 -40.06 89.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.482 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.4 tm-20 -60.02 -43.36 95.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.259 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.53 -47.87 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.897 -1.127 . . . . 0.0 108.603 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -46.34 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.237 -0.915 . . . . 0.0 108.841 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.412 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -62.14 -20.3 63.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.808 . . . . 0.0 109.483 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 58.3 m -95.33 -31.59 13.36 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.084 -1.01 . . . . 0.0 109.437 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -58.88 133.28 55.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.154 -0.966 . . . . 0.0 108.546 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.05 -29.48 55.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.772 -1.205 . . . . 0.0 110.688 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -76.17 -46.68 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.994 -1.066 . . . . 0.0 111.157 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.2 m -81.26 -22.4 38.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.925 -1.109 . . . . 0.0 111.57 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 55.8 tt0 -69.81 -58.22 4.15 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.722 -1.236 . . . . 0.0 110.056 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' B' ' 47' ' ' GLY . 89.2 mt -80.74 153.77 27.62 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -76.0 19.87 0.21 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.975 -1.078 . . . . 0.0 109.978 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . 94.87 -92.89 1.56 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -82.72 129.87 35.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.267 . . . . 0.0 109.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -79.02 -3.54 45.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.143 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -69.82 145.1 52.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.128 -0.982 . . . . 0.0 110.432 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.558 ' O ' ' NE2' ' B' ' 53' ' ' GLN . 7.4 p80 -89.39 11.01 20.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.609 -0.682 . . . . 0.0 109.533 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.33 97.56 0.77 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.558 ' NE2' ' O ' ' B' ' 51' ' ' HIS . 14.0 mp0 -79.33 149.45 31.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.224 -1.163 . . . . 0.0 108.961 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.48 -19.22 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.049 -1.032 . . . . 0.0 109.647 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.082 -1.011 . . . . 0.0 109.355 179.792 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.62 142.72 27.12 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.607 0.718 . . . . 0.0 110.766 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.2 t0 -60.04 -40.0 87.88 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.94 -18.14 0.12 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.124 -1.591 . . . . 0.0 109.124 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.7 mt -59.96 -40.16 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.432 -1.04 . . . . 0.0 108.864 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -65.58 -39.28 91.45 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.69 77.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.549 -0.719 . . . . 0.0 110.004 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.1 -41.04 91.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.98 -1.075 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -39.98 92.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -0.836 . . . . 0.0 109.607 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.25 9.81 38.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.484 -0.76 . . . . 0.0 111.005 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -50.12 -41.36 48.49 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.789 -1.195 . . . . 0.0 108.91 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.02 -36.73 80.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 109.634 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.08 -40.03 88.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.4 -0.813 . . . . 0.0 110.331 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.13 -17.93 33.67 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.84 -1.163 . . . . 0.0 109.79 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.2 m80 56.71 -127.01 1.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.527 -0.733 . . . . 0.0 109.913 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.5 m -86.0 -8.78 57.72 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.04 74.94 6.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.835 -1.166 . . . . 0.0 109.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -69.97 -26.94 64.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.497 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.02 90.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.37 -0.832 . . . . 0.0 110.424 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.9 89.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.258 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.92 -42.44 99.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.408 -0.807 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.04 -40.06 76.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.213 -0.93 . . . . 0.0 109.196 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.56 -35.86 79.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.417 -0.802 . . . . 0.0 109.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.02 -43.08 72.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 109.597 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.29 -0.3 53.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.402 -0.811 . . . . 0.0 109.605 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.1 50.07 18.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.294 -0.879 . . . . 0.0 110.498 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.26 151.07 47.41 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.535 -0.728 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.56 151.06 52.35 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.175 1.917 . . . . 0.0 111.312 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -41.29 -24.17 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.279 1.986 . . . . 0.0 113.217 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.97 -57.03 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.006 -1.059 . . . . 0.0 110.484 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.04 -40.0 77.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 110.517 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.957 -1.089 . . . . 0.0 109.246 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 109.934 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.74 -40.81 93.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.534 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -41.2 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.885 -1.134 . . . . 0.0 108.366 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.63 -39.94 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.54 -23.82 59.2 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.658 -0.651 . . . . 0.0 110.323 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 m -95.14 -30.8 13.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.919 -1.113 . . . . 0.0 109.63 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.76 129.29 41.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -74.52 -39.27 62.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.04 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.1 -39.93 75.22 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.958 -1.089 . . . . 0.0 110.73 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.2 m -84.66 5.73 26.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.771 -1.206 . . . . 0.0 110.094 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -77.46 -69.98 0.5 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.054 -1.029 . . . . 0.0 109.154 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 mt -86.0 129.62 34.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -73.03 -22.34 60.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 108.519 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.56 -6.25 82.24 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -83.99 -5.48 59.23 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.433 -1.039 . . . . 0.0 108.357 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.24 138.49 49.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.596 -0.69 . . . . 0.0 109.664 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.6 mtt -155.5 105.59 2.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -88.96 -4.38 58.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.198 -0.939 . . . . 0.0 109.951 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.42 100.31 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -152.34 -76.65 0.13 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.241 -1.152 . . . . 0.0 109.088 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 m -97.13 137.88 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.235 -0.916 . . . . 0.0 109.226 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.41 179.721 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.74 142.76 27.09 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.644 0.735 . . . . 0.0 110.776 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.3 t0 -60.04 -39.9 87.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.85 -18.23 0.12 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.6 mt -60.12 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.496 -1.003 . . . . 0.0 108.944 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.55 -39.16 91.41 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.87 77.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.535 -0.728 . . . . 0.0 110.051 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.94 -41.19 91.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.135 -0.978 . . . . 0.0 109.31 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.26 -40.14 92.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.335 -0.853 . . . . 0.0 109.606 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.15 9.57 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.449 -0.782 . . . . 0.0 110.974 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -49.92 -41.3 45.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.806 -1.184 . . . . 0.0 108.959 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.11 -36.99 81.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.472 -0.767 . . . . 0.0 109.464 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.368 -0.832 . . . . 0.0 110.338 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -86.19 -17.9 33.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.755 -1.216 . . . . 0.0 109.66 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 56.73 -126.86 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.501 -0.749 . . . . 0.0 109.98 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 m -86.21 -8.74 57.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.636 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.13 75.08 6.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -70.05 -27.02 64.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.511 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.17 89.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.01 89.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.021 . . . . 0.0 109.317 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.83 -42.46 99.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 109.6 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.99 -40.09 75.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.946 . . . . 0.0 109.236 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -67.57 -36.05 80.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.46 -0.775 . . . . 0.0 109.718 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -69.88 -43.11 72.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.223 -0.923 . . . . 0.0 109.68 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.18 -0.36 53.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.323 -0.861 . . . . 0.0 109.671 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.4 m120 53.3 50.0 18.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.283 -0.886 . . . . 0.0 110.42 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.32 151.07 47.49 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.512 -0.742 . . . . 0.0 109.295 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -72.75 151.24 51.42 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.122 1.882 . . . . 0.0 111.268 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.35 -24.0 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.28 1.987 . . . . 0.0 113.255 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.15 -56.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.944 -1.097 . . . . 0.0 110.483 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -39.89 77.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.442 -0.786 . . . . 0.0 110.554 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.73 76.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.853 -1.154 . . . . 0.0 109.228 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.04 -39.92 87.58 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 109.921 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.82 -40.59 93.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.25 -41.34 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.93 -1.106 . . . . 0.0 108.274 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -67.42 -40.01 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.94 59.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.601 -0.687 . . . . 0.0 110.24 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.1 m -95.02 -30.72 13.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.998 -1.064 . . . . 0.0 109.739 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.2 t -59.84 129.28 41.09 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.083 -1.011 . . . . 0.0 108.571 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -74.3 -39.57 62.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.891 . . . . 0.0 111.048 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.02 -39.93 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.859 -1.151 . . . . 0.0 110.854 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -84.57 5.62 27.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.798 -1.189 . . . . 0.0 110.084 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -77.45 -69.94 0.5 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.064 . . . . 0.0 109.097 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -85.95 129.71 34.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.459 -0.775 . . . . 0.0 109.732 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.25 -22.18 60.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.026 -1.046 . . . . 0.0 108.42 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.63 -6.46 82.12 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -83.94 -5.64 59.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.434 -1.039 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 138.13 49.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.512 -0.743 . . . . 0.0 109.572 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.0 mtt -154.98 105.16 2.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.192 -0.943 . . . . 0.0 109.193 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -88.28 -4.66 58.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.942 . . . . 0.0 110.241 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.27 100.41 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -152.44 -76.58 0.13 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.179 -1.189 . . . . 0.0 109.04 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 m -97.35 137.76 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.281 -0.887 . . . . 0.0 109.184 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.325 179.794 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.667 0.746 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -98.43 142.01 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.64 . . . . 0.0 110.612 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.03 -40.01 87.84 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.84 -16.61 0.22 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 80.5 mt -60.48 -40.41 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.345 -1.091 . . . . 0.0 108.647 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.95 -39.99 91.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.94 -39.72 94.81 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' CYS . . . -59.68 -31.97 70.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.523 -0.735 . . . . 0.0 109.746 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -59.98 -49.84 76.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.75 -38.5 85.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.453 -0.779 . . . . 0.0 109.648 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.01 -2.3 58.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.281 -0.887 . . . . 0.0 109.89 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' ALA . 46.4 t -50.83 -36.3 36.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.885 -1.134 . . . . 0.0 109.627 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.5 tt0 -60.13 -39.95 88.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 110.143 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.68 -39.99 90.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.514 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -85.75 -24.16 27.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.855 -1.153 . . . . 0.0 109.795 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 66.6 m80 56.51 -119.14 1.27 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.487 -0.758 . . . . 0.0 109.993 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.46 -8.61 56.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.841 . . . . 0.0 110.501 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -78.94 68.2 4.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.942 -1.099 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.01 -25.42 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 109.337 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.31 -41.31 93.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 0.0 109.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.88 77.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.213 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.1 ttp -62.16 -42.2 99.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.832 . . . . 0.0 109.718 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.08 83.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.078 -1.013 . . . . 0.0 108.718 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 m -67.14 -37.34 83.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.552 -0.717 . . . . 0.0 110.105 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.63 -40.02 76.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.011 -1.055 . . . . 0.0 110.151 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -95.24 0.6 54.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.152 -0.968 . . . . 0.0 109.03 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 51.91 49.87 19.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -115.36 154.82 47.58 Favored Pre-proline 0 N--CA 1.501 2.085 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_endo -76.09 149.26 32.18 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.498 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -39.06 -25.81 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.53 2.153 . . . . 0.0 113.4 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -59.91 -50.24 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.97 -1.081 . . . . 0.0 110.743 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.61 -39.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.008 -1.058 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.25 66.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.242 -0.911 . . . . 0.0 109.267 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 109.384 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.73 -40.16 91.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 110.396 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.92 -41.09 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.006 -1.059 . . . . 0.0 108.861 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.82 -38.71 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.03 -22.12 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.782 -0.573 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.6 m -91.44 -33.31 15.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.891 -1.131 . . . . 0.0 109.358 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.38 -26.29 46.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.149 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.52 -39.99 67.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.984 -1.072 . . . . 0.0 110.068 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.3 m -81.34 -6.94 59.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 109.855 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.5 tp-100 -78.86 -70.1 0.52 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 109.639 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -88.25 138.13 31.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.235 -0.915 . . . . 0.0 109.791 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.31 149.1 33.55 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.21 -39.25 89.75 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -83.49 146.61 28.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -1.185 . . . . 0.0 109.688 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.95 78.71 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.152 -0.968 . . . . 0.0 109.708 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 ttt -160.45 102.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -87.51 160.79 18.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.8 168.98 41.25 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -156.15 -18.45 0.1 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.4 t -90.1 -73.4 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.359 -0.838 . . . . 0.0 109.469 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.322 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.66 0.743 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.39 142.04 30.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.556 -0.715 . . . . 0.0 110.663 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.2 m-20 -60.12 -39.96 88.08 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -16.59 0.22 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 80.3 mt -60.31 -40.35 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.256 -1.144 . . . . 0.0 108.703 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.11 -39.96 91.95 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.83 -39.8 95.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 12' ' ' CYS . . . -59.65 -31.78 69.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.366 -0.834 . . . . 0.0 109.795 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.1 -49.76 76.39 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.84 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.73 -38.45 85.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 0.0 109.766 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -89.18 -2.44 58.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 109.806 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' B' ' 8' ' ' ALA . 47.0 t -50.7 -36.32 35.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.846 -1.159 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.6 -40.03 90.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -0.972 . . . . 0.0 110.398 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -85.89 -24.09 26.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.919 -1.113 . . . . 0.0 109.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 66.5 m80 56.5 -119.25 1.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.457 -0.777 . . . . 0.0 109.954 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.31 -8.65 56.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.333 -0.854 . . . . 0.0 110.532 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.91 68.1 4.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.986 -1.071 . . . . 0.0 109.849 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.0 -25.53 63.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.262 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -41.29 93.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 0.0 109.565 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.97 77.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 0.0 109.273 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.99 -42.18 98.86 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.65 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.01 83.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.995 -1.065 . . . . 0.0 108.742 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -67.25 -37.27 83.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.606 -0.684 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.67 -39.97 76.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.025 -1.047 . . . . 0.0 110.207 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -95.27 0.5 53.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -1.0 . . . . 0.0 108.929 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m120 51.92 49.94 19.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt -115.5 154.68 47.76 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.498 -0.751 . . . . 0.0 109.049 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.96 149.29 32.74 Favored 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.86 1.707 . . . . 0.0 111.453 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -38.99 -25.96 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.584 2.189 . . . . 0.0 113.386 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -50.17 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.896 -1.128 . . . . 0.0 110.79 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.51 -39.43 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.074 -1.016 . . . . 0.0 109.974 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.1 66.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.281 -0.887 . . . . 0.0 109.152 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.18 -40.03 88.54 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.352 -0.843 . . . . 0.0 109.322 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.64 -40.29 91.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.468 -0.77 . . . . 0.0 110.398 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.955 -1.09 . . . . 0.0 108.814 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.99 -38.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.04 -22.07 62.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.911 -0.493 . . . . 0.0 110.527 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.0 m -91.3 -33.09 15.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.914 -1.117 . . . . 0.0 109.365 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.96 131.61 51.4 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.31 -26.53 46.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.0 110.011 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.48 -40.12 67.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.029 -1.044 . . . . 0.0 109.909 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -81.26 -6.64 59.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.205 -0.935 . . . . 0.0 109.879 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 49.5 tp60 -79.12 -69.98 0.54 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.76 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 138.07 31.76 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.569 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.36 149.23 33.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.24 89.93 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -83.41 146.61 28.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -1.183 . . . . 0.0 109.696 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.02 78.79 0.2 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.199 -0.938 . . . . 0.0 109.735 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.7 ttt -160.63 101.09 1.32 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 160.72 18.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.174 -0.954 . . . . 0.0 110.032 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.74 169.01 41.31 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -156.16 -18.47 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -1.156 . . . . 0.0 108.901 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 t -90.05 -73.36 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.394 -0.816 . . . . 0.0 109.417 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.412 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.48 145.05 25.47 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.801 0.81 . . . . 0.0 110.854 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.7 m-20 -60.07 -39.94 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.26 -15.4 0.41 Allowed Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.21 -41.5 87.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.069 -1.253 . . . . 0.0 108.673 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.18 -40.05 88.63 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.81 92.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.36 75.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 109.673 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -43.53 95.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.79 -39.9 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.846 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.19 1.05 57.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.369 -0.832 . . . . 0.0 110.417 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -40.92 35.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.781 -1.2 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -38.35 82.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.436 -0.79 . . . . 0.0 109.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.45 -39.75 94.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.275 -0.891 . . . . 0.0 109.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.14 -19.21 28.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.076 -1.015 . . . . 0.0 109.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 57.64 -133.03 1.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.552 -0.717 . . . . 0.0 110.492 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.6 p -82.25 -8.27 59.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.568 -0.708 . . . . 0.0 110.845 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.07 78.07 4.56 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.656 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.03 -26.14 63.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.492 -0.755 . . . . 0.0 109.277 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.18 -40.37 93.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.12 79.86 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.187 -0.946 . . . . 0.0 109.489 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.61 -41.35 98.94 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.238 -0.914 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -40.4 88.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 109.148 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m -65.7 -38.9 90.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.421 -0.8 . . . . 0.0 109.759 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -68.61 -45.75 71.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -92.57 -0.87 57.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.348 -0.845 . . . . 0.0 109.213 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.4 m-80 51.79 49.79 20.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 0.0 110.482 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.14 153.59 46.29 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.508 -0.745 . . . . 0.0 109.426 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' VAL . 86.2 Cg_endo -78.46 151.14 25.59 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.249 1.966 . . . . 0.0 111.366 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -38.03 -22.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.357 2.038 . . . . 0.0 113.324 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' PRO . 62.6 t -59.51 -61.39 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.856 -1.152 . . . . 0.0 110.105 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.99 -40.15 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.45 -0.781 . . . . 0.0 110.672 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.04 79.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.698 -1.251 . . . . 0.0 109.326 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -60.58 -39.96 89.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.175 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.13 -42.11 94.1 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.2 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 36' ' ' ILE . 96.9 mt -62.14 -40.25 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.932 -1.105 . . . . 0.0 108.206 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.12 -40.0 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.72 27.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.684 -0.635 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -92.01 -45.61 8.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.96 130.12 45.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.283 -0.886 . . . . 0.0 108.74 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -79.73 -27.25 40.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.012 -1.055 . . . . 0.0 110.019 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.08 -45.35 49.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.994 -1.066 . . . . 0.0 110.564 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 71.7 m -79.87 -29.97 40.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.149 -0.969 . . . . 0.0 110.773 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.2 -56.05 6.87 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.937 -1.102 . . . . 0.0 111.089 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.36 152.65 28.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.161 -0.962 . . . . 0.0 110.234 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.85 155.9 27.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.414 -0.804 . . . . 0.0 110.01 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.2 -89.98 0.01 OUTLIER Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -83.76 111.58 19.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.026 -1.279 . . . . 0.0 109.239 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -78.29 -110.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.0 109.645 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.459 ' O ' ' O ' ' A' ' 49' ' ' ALA . 23.9 ttt 55.96 157.74 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.563 0.697 . . . . 0.0 110.18 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -84.6 158.45 20.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 109.63 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.14 67.85 0.79 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.54 154.5 28.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.022 -1.281 . . . . 0.0 108.457 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 9.5 p -95.77 126.31 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.062 -1.024 . . . . 0.0 109.283 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 74.6 m-20 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.524 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.422 0.629 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -95.29 144.97 25.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.87 . . . . 0.0 110.927 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.5 m-20 -60.02 -39.93 87.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -14.94 0.41 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.9 mt -60.63 -41.38 87.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.127 -1.22 . . . . 0.0 108.593 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -40.09 88.91 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.61 91.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.499 -0.751 . . . . 0.0 109.033 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.25 75.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.03 -43.59 95.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.901 -1.125 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.67 -39.97 93.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.429 -0.795 . . . . 0.0 109.768 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.41 1.27 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.36 -40.96 37.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.874 -1.141 . . . . 0.0 109.444 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.17 -37.98 81.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.7 -39.78 95.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.837 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -87.06 -19.21 28.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.104 -0.998 . . . . 0.0 109.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 57.45 -133.05 1.29 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.57 0.7 . . . . 0.0 110.502 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -82.08 -8.39 59.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.576 -0.703 . . . . 0.0 110.818 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -77.95 77.94 4.45 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -26.01 63.81 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.476 -0.765 . . . . 0.0 109.339 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.15 -40.46 93.93 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.08 79.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.218 -0.926 . . . . 0.0 109.549 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.62 -41.4 98.98 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.93 -40.41 88.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.073 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.65 -38.87 90.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -68.72 -45.65 70.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.687 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.65 -0.82 57.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.415 -0.803 . . . . 0.0 109.309 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 3.4 m-80 51.73 49.83 20.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.388 -0.82 . . . . 0.0 110.584 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.21 153.66 46.35 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 121.511 -0.743 . . . . 0.0 109.343 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' B' ' 31' ' ' VAL . 87.9 Cg_endo -78.42 151.34 25.89 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.233 1.955 . . . . 0.0 111.447 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -38.24 -22.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.429 2.086 . . . . 0.0 113.268 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.8 t -59.66 -61.4 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.81 -1.181 . . . . 0.0 110.072 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.95 -40.03 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.48 -0.763 . . . . 0.0 110.709 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.29 78.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.691 -1.255 . . . . 0.0 109.206 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.369 -0.832 . . . . 0.0 109.194 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.99 -42.32 93.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.335 -0.853 . . . . 0.0 110.34 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 36' ' ' ILE . 96.9 mt -61.9 -40.31 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.948 -1.095 . . . . 0.0 108.18 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.14 -40.0 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.9 27.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.709 -0.619 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.2 m -91.91 -45.47 8.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.96 130.11 45.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.34 -0.85 . . . . 0.0 108.898 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.69 -27.27 40.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.091 -1.005 . . . . 0.0 110.061 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.03 -45.4 49.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.038 . . . . 0.0 110.632 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.87 -30.04 40.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.025 -1.047 . . . . 0.0 110.806 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.33 -55.61 7.67 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.929 -1.107 . . . . 0.0 111.208 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.53 152.6 28.58 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.109 -0.994 . . . . 0.0 110.258 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -80.03 155.64 27.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.436 -0.79 . . . . 0.0 109.955 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.08 -90.23 0.01 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -83.48 111.61 19.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.214 -1.168 . . . . 0.0 109.174 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -78.25 -110.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 0.0 109.713 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.455 ' O ' ' O ' ' B' ' 49' ' ' ALA . 23.7 ttt 55.7 157.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.68 0.752 . . . . 0.0 110.202 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -83.66 158.48 21.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 0.0 109.839 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.14 67.45 0.79 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.32 153.85 29.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -1.222 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.44 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 9.3 p -95.38 126.39 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.091 -1.005 . . . . 0.0 109.254 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 74.7 m-20 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.646 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.32 143.36 29.66 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.568 0.699 . . . . 0.0 110.696 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.2 t0 -59.97 -38.79 83.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -16.12 0.4 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' ASP . 72.1 mt -60.13 -41.42 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 0.0 108.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.32 -40.04 89.15 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -61.54 -39.29 90.55 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.586 -0.696 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.31 -39.88 84.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.05 -43.97 95.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.744 -1.223 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.89 -39.94 93.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.521 -0.737 . . . . 0.0 110.131 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.04 8.68 38.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 110.135 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -51.03 -40.34 58.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.048 -1.033 . . . . 0.0 109.197 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.6 -39.86 89.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.403 -0.811 . . . . 0.0 110.214 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -62.03 -40.04 94.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.005 -1.059 . . . . 0.0 109.606 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.62 -15.47 34.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.136 -0.977 . . . . 0.0 109.075 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.7 m80 57.81 -137.09 0.94 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.62 -0.675 . . . . 0.0 109.714 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -85.97 -0.13 54.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.35 76.9 8.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.008 -1.058 . . . . 0.0 109.48 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.02 -26.33 64.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.119 -0.988 . . . . 0.0 109.666 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.14 -40.77 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 110.1 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.05 79.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.962 . . . . 0.0 108.8 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.493 ' C ' ' SD ' ' A' ' 22' ' ' MET . 15.4 tmm? -60.13 -47.57 85.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.555 -0.716 . . . . 0.0 109.106 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -55.47 -39.6 70.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.111 -0.993 . . . . 0.0 109.438 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -65.29 -40.0 93.29 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.692 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.07 -40.02 75.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.229 -0.919 . . . . 0.0 110.229 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -95.66 -0.42 51.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.075 -1.015 . . . . 0.0 109.243 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.2 m120 50.28 43.63 26.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.116 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -106.94 121.49 44.69 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.397 -0.815 . . . . 0.0 109.903 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.5 Cg_exo -44.42 145.31 2.58 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.672 1.581 . . . . 0.0 111.284 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.69 -21.42 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.072 1.848 . . . . 0.0 113.396 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -58.49 -57.8 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.809 -1.182 . . . . 0.0 110.337 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.98 -40.8 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 0.0 110.044 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.59 72.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.774 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -59.97 -39.04 84.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.57 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.405 -0.81 . . . . 0.0 110.62 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -61.2 -40.28 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.839 -1.163 . . . . 0.0 108.941 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.7 -40.09 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.41 -21.97 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.693 . . . . 0.0 110.278 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -91.96 -38.64 12.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.998 -1.063 . . . . 0.0 109.732 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.9 132.69 54.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.664 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.88 -30.69 40.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 0.0 110.488 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -71.96 -40.38 68.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.971 . . . . 0.0 110.284 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -86.3 7.39 25.59 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.09 -1.006 . . . . 0.0 109.756 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.99 -70.0 0.53 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.0 109.833 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -83.81 140.69 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.839 . . . . 0.0 109.409 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -71.35 -35.79 71.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.211 -0.931 . . . . 0.0 109.005 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.52 -14.37 9.3 Favored Glycine 0 N--CA 1.502 3.071 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 43.7 mp0 -85.36 129.48 34.8 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.915 -1.344 . . . . 0.0 109.701 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.82 -62.34 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.097 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.7 mtt -76.97 140.91 40.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 109.517 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -86.19 141.87 29.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 109.565 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.68 158.44 8.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -81.83 120.27 24.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.008 -1.289 . . . . 0.0 109.07 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.14 120.9 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.48 -179.762 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -99.45 143.57 29.55 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.601 -0.687 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 5' ' ' ILE . 37.2 t0 -60.01 -38.53 82.94 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.31 -15.89 0.47 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' B' ' 3' ' ' ASP . 72.4 mt -60.19 -41.64 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.213 -1.169 . . . . 0.0 108.62 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.08 -40.02 88.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.71 -38.81 89.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.511 -0.743 . . . . 0.0 109.222 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.81 86.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 0.0 110.342 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.05 -44.05 94.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.683 -1.261 . . . . 0.0 109.203 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.9 -40.01 93.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.538 -0.726 . . . . 0.0 109.991 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.12 8.63 39.31 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.147 -0.971 . . . . 0.0 110.105 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 47.8 t -50.83 -40.16 55.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.263 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.81 -39.93 90.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 0.0 110.214 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.88 -39.99 93.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.968 . . . . 0.0 109.6 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.61 -15.6 34.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.097 -1.002 . . . . 0.0 109.074 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 57.72 -137.2 0.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.649 -0.657 . . . . 0.0 109.707 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -85.75 -0.2 54.58 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.26 -0.9 . . . . 0.0 110.288 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.26 77.09 8.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.917 -1.115 . . . . 0.0 109.516 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -69.98 -26.61 64.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.94 91.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.007 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.97 79.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.496 ' C ' ' SD ' ' B' ' 22' ' ' MET . 15.3 tmm? -60.11 -47.43 85.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.468 -0.77 . . . . 0.0 109.025 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -55.62 -39.45 70.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.523 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -65.39 -40.05 92.99 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.331 -0.856 . . . . 0.0 109.678 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.98 -40.01 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.235 -0.916 . . . . 0.0 110.221 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -95.62 -0.48 51.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.142 -0.974 . . . . 0.0 109.297 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.2 m120 50.35 43.45 26.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.923 . . . . 0.0 110.117 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -106.93 121.48 44.73 Favored Pre-proline 0 N--CA 1.498 1.925 0 O-C-N 121.496 -0.753 . . . . 0.0 109.944 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 31' ' ' VAL . 99.0 Cg_exo -44.35 145.32 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.627 1.551 . . . . 0.0 111.234 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.76 -21.12 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.175 1.917 . . . . 0.0 113.294 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -58.57 -57.75 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.898 -1.126 . . . . 0.0 110.35 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -41.01 78.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.43 -0.794 . . . . 0.0 110.016 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.52 72.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.113 -0.992 . . . . 0.0 109.763 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.08 -39.02 84.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.433 -0.792 . . . . 0.0 110.558 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.403 HD11 HG22 ' B' ' 36' ' ' ILE . 96.5 mt -60.96 -40.96 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.82 -1.175 . . . . 0.0 108.904 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.26 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 108.596 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.99 62.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 110.299 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.28 -38.51 12.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.639 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.95 132.78 55.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.029 -1.044 . . . . 0.0 108.579 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -80.11 -30.59 39.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.107 -0.995 . . . . 0.0 110.44 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -72.0 -40.66 68.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.03 -1.043 . . . . 0.0 110.23 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -86.12 7.53 24.5 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.107 -0.996 . . . . 0.0 109.678 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -79.19 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.267 -0.896 . . . . 0.0 109.824 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -83.57 140.76 32.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.359 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -71.46 -36.01 71.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.004 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.93 -14.49 9.04 Favored Glycine 0 N--CA 1.502 3.071 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' B' ' 48' ' ' GLU . 43.7 mp0 -85.27 129.35 34.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.943 -1.327 . . . . 0.0 109.789 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.7 -62.43 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.6 mtt -76.65 140.36 40.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.476 -0.765 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -85.67 141.98 29.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.072 -1.017 . . . . 0.0 109.575 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.39 158.5 8.38 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -81.96 120.46 25.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.885 -1.362 . . . . 0.0 109.176 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.15 120.3 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.436 -0.79 . . . . 0.0 108.928 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.494 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.592 0.711 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 143.03 31.07 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.713 . . . . 0.0 110.771 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.5 m-20 -60.0 -39.38 85.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.39 -15.13 0.12 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.5 mt -60.06 -36.02 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.527 -0.984 . . . . 0.0 108.485 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.39 82.39 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 37.6 ttmt -62.71 -39.95 95.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.79 77.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.202 -0.936 . . . . 0.0 109.944 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -60.03 -40.54 89.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -40.34 90.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.408 -0.807 . . . . 0.0 110.581 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 31.2 mp0 -100.53 15.75 26.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -49.2 -43.88 42.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.9 -1.125 . . . . 0.0 109.4 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.3 -34.25 73.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.621 -0.675 . . . . 0.0 110.148 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -60.03 -39.22 85.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -85.3 -16.3 40.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.883 -1.136 . . . . 0.0 108.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.87 -132.9 1.41 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 109.986 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.9 p -83.19 -7.49 59.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.202 -0.936 . . . . 0.0 110.199 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.5 76.11 5.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.98 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -69.97 -23.65 63.2 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.395 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -39.98 89.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.99 92.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.948 . . . . 0.0 109.562 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.89 -42.36 98.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.67 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -66.22 -39.98 89.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 0.0 110.591 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.91 -40.08 75.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.014 -1.054 . . . . 0.0 110.316 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -96.79 -1.65 45.82 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.265 -0.897 . . . . 0.0 109.605 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.6 m120 53.49 43.64 30.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.209 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 mt -112.92 151.61 44.22 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.26 154.62 51.61 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.001 1.8 . . . . 0.0 112.362 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.01 -26.27 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.878 2.385 . . . . 0.0 113.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.88 -50.31 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 120.917 -1.114 . . . . 0.0 110.152 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.06 -41.89 52.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.032 -1.042 . . . . 0.0 110.431 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.53 68.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.861 -1.149 . . . . 0.0 109.808 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.29 -40.01 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.107 -0.995 . . . . 0.0 109.906 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.89 -40.05 91.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 0.0 110.271 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.03 -40.62 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.044 -1.035 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.98 -40.07 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.69 -17.73 25.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.742 -0.599 . . . . 0.0 110.067 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -91.67 -45.24 8.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.929 -1.107 . . . . 0.0 108.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.47 129.42 41.91 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.07 -33.95 50.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.913 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.958 -1.089 . . . . 0.0 110.891 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.0 m -77.91 -30.46 50.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.859 -1.15 . . . . 0.0 110.211 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -76.09 -64.19 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.054 -1.029 . . . . 0.0 108.827 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -86.26 125.94 33.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HD3' ' H ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -79.97 158.94 26.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.33 -5.48 89.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -81.98 130.01 34.95 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.307 -1.113 . . . . 0.0 109.416 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.84 -68.41 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.938 . . . . 0.0 109.436 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 99.0 mtp -76.9 159.3 30.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 108.827 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.496 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 8.1 p80 -77.82 -35.06 51.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.218 -0.926 . . . . 0.0 110.004 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 -175.25 0.06 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -82.25 151.67 26.71 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -1.152 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -95.55 135.8 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.087 -1.008 . . . . 0.0 109.242 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.327 -179.735 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 74.3 mt -100.52 142.99 31.23 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.57 0.7 . . . . 0.0 110.82 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.2 m-20 -60.01 -39.25 85.18 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.35 -15.37 0.13 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.1 mt -59.9 -36.15 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -1.01 . . . . 0.0 108.49 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.42 82.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 37.5 ttmt -62.64 -40.04 95.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.401 -0.812 . . . . 0.0 109.247 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.86 77.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -59.99 -40.66 89.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.032 -1.043 . . . . 0.0 109.87 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -40.4 90.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.366 -0.834 . . . . 0.0 110.606 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 31.2 mp0 -100.47 15.58 27.44 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.24 -43.96 43.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.977 -1.077 . . . . 0.0 109.377 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.21 -34.32 73.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.58 -0.7 . . . . 0.0 110.226 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.99 -39.32 85.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.776 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -85.21 -16.27 40.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.976 -1.078 . . . . 0.0 108.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.93 -132.71 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.498 -0.752 . . . . 0.0 110.044 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -83.35 -7.51 59.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 110.186 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -78.54 76.26 5.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.916 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.6 p-90 -70.11 -23.7 63.08 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.282 -0.886 . . . . 0.0 109.293 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.24 -40.0 88.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.018 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.95 91.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.923 . . . . 0.0 109.52 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.84 -42.52 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.181 -0.949 . . . . 0.0 109.735 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -40.01 87.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 109.762 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -66.25 -39.9 89.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.337 -0.852 . . . . 0.0 110.661 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.96 -40.03 75.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.001 -1.062 . . . . 0.0 110.294 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.94 -1.63 45.34 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.23 -0.919 . . . . 0.0 109.564 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 53.4 43.83 30.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.05 151.67 44.34 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.24 154.54 51.64 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.056 1.837 . . . . 0.0 112.307 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -40.95 -26.31 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.889 2.392 . . . . 0.0 113.853 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.02 -49.91 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 110.278 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.37 -41.6 50.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.047 -1.033 . . . . 0.0 110.395 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.48 69.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.961 -1.087 . . . . 0.0 109.737 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.19 -40.06 88.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.026 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.0 -39.9 91.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.287 -0.883 . . . . 0.0 110.266 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.402 HG22 HD11 ' B' ' 36' ' ' ILE . 89.3 mt -60.11 -40.44 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.041 -1.037 . . . . 0.0 108.404 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.06 -40.06 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.9 27.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 110.006 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -91.5 -45.11 8.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.979 -1.076 . . . . 0.0 108.684 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -59.64 129.42 41.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -77.93 -34.03 51.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 111.06 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.71 -42.86 70.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.993 -1.067 . . . . 0.0 110.951 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.6 m -78.14 -30.32 49.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.849 -1.157 . . . . 0.0 110.167 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -76.14 -64.38 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.083 -1.011 . . . . 0.0 108.864 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.07 126.1 33.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.016 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -80.03 159.08 26.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.213 -0.929 . . . . 0.0 109.101 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.5 -5.25 90.08 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -82.09 130.07 34.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -1.142 . . . . 0.0 109.433 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.84 -68.82 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.212 -0.93 . . . . 0.0 109.355 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 99.3 mtp -76.5 158.9 30.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.03 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.512 ' H ' ' CD2' ' B' ' 51' ' ' HIS . 7.9 p80 -77.56 -34.66 53.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.069 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . 49.95 -175.29 0.05 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -82.12 151.83 26.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -1.173 . . . . 0.0 109.319 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -95.58 135.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.089 -1.007 . . . . 0.0 109.167 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.335 -179.784 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.88 140.81 30.11 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.723 0.773 . . . . 0.0 110.867 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.0 m-20 -60.02 -38.42 82.63 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 -14.37 0.41 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 66.7 mt -59.89 -39.38 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.509 -0.995 . . . . 0.0 108.951 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.02 -38.41 82.61 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -38.5 91.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.865 . . . . 0.0 108.878 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.85 71.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.07 -40.73 90.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.133 -0.979 . . . . 0.0 108.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -40.0 94.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.517 -0.739 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.24 0.06 57.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 110.331 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.98 -44.1 40.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.888 -1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.13 -38.11 82.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.289 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.4 -40.01 89.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.44 -14.14 44.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 109.245 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 59.04 -138.4 0.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.756 . . . . 0.0 110.292 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -80.77 -8.24 59.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.05 76.06 4.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.0 109.591 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.24 -25.14 63.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.469 -0.769 . . . . 0.0 109.39 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.29 -40.26 89.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.649 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.13 83.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.0 109.357 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.83 -40.0 94.48 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.263 -0.898 . . . . 0.0 109.511 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.31 93.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.979 -1.075 . . . . 0.0 109.72 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 73.6 m -64.41 -40.03 94.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.133 -0.979 . . . . 0.0 110.248 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.94 -40.01 75.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.014 . . . . 0.0 110.55 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -92.79 -0.74 57.21 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.923 -1.111 . . . . 0.0 109.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.3 m120 52.12 48.22 23.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.574 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -116.98 151.21 47.19 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.477 -0.764 . . . . 0.0 109.149 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.92 154.29 53.2 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.066 1.844 . . . . 0.0 112.182 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.07 -27.59 1.04 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.488 2.125 . . . . 0.0 113.361 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -52.49 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.93 -1.106 . . . . 0.0 110.273 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.48 -40.11 63.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.751 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.47 69.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.158 -0.964 . . . . 0.0 109.713 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.013 . . . . 0.0 109.836 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.4 -40.01 92.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.356 -0.84 . . . . 0.0 110.488 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.59 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.52 -39.93 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.52 -20.74 48.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.874 -0.516 . . . . 0.0 109.96 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.1 m -96.59 -34.38 11.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.985 . . . . 0.0 109.555 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.39 132.4 53.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.148 -0.97 . . . . 0.0 108.907 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.216 -0.928 . . . . 0.0 111.465 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.992 -1.067 . . . . 0.0 110.587 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.3 2.09 41.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.857 -1.152 . . . . 0.0 109.91 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -76.66 -69.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.069 -1.019 . . . . 0.0 108.748 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.61 152.36 27.22 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -78.24 -11.57 59.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.962 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.69 6.6 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.824 -1.179 . . . . 0.0 110.402 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -153.94 75.21 1.02 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.332 . . . . 0.0 109.696 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.4 165.58 24.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.408 -0.807 . . . . 0.0 109.724 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 ttm 61.77 38.19 15.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.429 -0.795 . . . . 0.0 109.521 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -151.66 157.97 42.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.444 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.63 178.47 45.39 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -79.96 -70.07 0.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.249 . . . . 0.0 109.882 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.26 -28.59 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.293 -0.88 . . . . 0.0 109.392 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.502 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.85 140.92 29.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.725 0.774 . . . . 0.0 110.897 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' B' ' 5' ' ' ILE . 95.8 m-20 -60.06 -38.54 83.11 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -14.47 0.39 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.491 ' H ' ' C ' ' B' ' 3' ' ' ASP . 66.3 mt -60.04 -39.37 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.466 -1.02 . . . . 0.0 108.896 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.91 -38.45 82.36 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.08 -38.44 91.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 108.848 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.94 71.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -0.836 . . . . 0.0 109.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.01 -40.6 89.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.109 -0.995 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -39.96 94.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.458 -0.776 . . . . 0.0 110.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -90.18 -0.08 57.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.231 -0.918 . . . . 0.0 110.291 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -48.84 -44.21 39.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.998 -1.064 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.05 -38.22 82.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.418 -0.801 . . . . 0.0 109.24 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.39 -40.0 89.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.42 -13.98 44.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.151 -0.968 . . . . 0.0 109.314 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 58.97 -138.32 0.78 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.49 -0.756 . . . . 0.0 110.213 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -8.37 59.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.568 -0.707 . . . . 0.0 110.2 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 75.82 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.644 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.01 -25.08 63.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.805 . . . . 0.0 109.476 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.32 90.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.883 . . . . 0.0 109.619 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.03 83.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.97 -39.97 94.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.168 -0.958 . . . . 0.0 109.496 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.42 94.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.055 . . . . 0.0 109.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 73.3 m -64.4 -39.93 94.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.978 . . . . 0.0 110.486 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -92.92 -0.59 57.19 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.946 -1.096 . . . . 0.0 109.35 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.3 m120 52.13 48.25 23.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.86 . . . . 0.0 110.581 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -117.0 151.18 47.16 Favored Pre-proline 0 N--CA 1.501 2.097 0 O-C-N 121.433 -0.792 . . . . 0.0 109.093 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.92 154.32 53.17 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.072 1.848 . . . . 0.0 112.12 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.03 -27.48 0.98 Allowed 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.48 2.12 . . . . 0.0 113.376 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -52.8 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.921 -1.112 . . . . 0.0 110.225 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.19 -40.12 65.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -51.43 69.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.27 -40.0 88.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 109.88 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.33 -40.05 92.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 0.0 110.47 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.0 -42.5 89.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 120.988 -1.07 . . . . 0.0 108.189 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.68 -39.95 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.88 48.7 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.697 -0.627 . . . . 0.0 109.971 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.4 m -96.44 -34.55 11.47 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.097 -1.002 . . . . 0.0 109.618 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.18 132.51 54.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.12 -0.987 . . . . 0.0 108.909 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.439 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -69.97 -40.04 75.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.914 -1.116 . . . . 0.0 110.566 -178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.21 1.98 42.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.889 -1.132 . . . . 0.0 109.818 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -76.6 -69.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.043 -1.036 . . . . 0.0 108.982 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.56 152.31 27.3 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -78.2 -11.47 59.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.142 -0.974 . . . . 0.0 110.038 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.43 49.6 6.63 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.359 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -153.93 75.13 1.01 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.904 -1.351 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.16 165.79 24.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.408 -0.807 . . . . 0.0 109.653 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 35.7 ttm 61.54 38.24 15.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 109.488 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -151.67 158.03 42.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.282 -0.886 . . . . 0.0 109.461 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.67 178.52 45.43 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.02 -70.15 0.54 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -1.234 . . . . 0.0 109.824 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.23 -28.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.366 -0.834 . . . . 0.0 109.343 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.94 -1.028 . . . . 0.0 109.51 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.8 mt -97.25 142.39 29.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.804 0.812 . . . . 0.0 111.026 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 87.4 m-20 -60.05 -39.91 87.6 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.9 -13.97 0.23 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.7 mt -60.2 -39.97 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.218 -1.166 . . . . 0.0 108.846 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.41 -39.86 88.91 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 63.6 tttp -61.92 -38.61 89.08 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -32.88 68.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 110.078 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.25 -40.04 88.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.099 -1.001 . . . . 0.0 110.136 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.32 -40.03 89.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.246 -0.909 . . . . 0.0 111.13 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 55.2 mp0 -93.2 -0.83 56.76 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.832 -1.167 . . . . 0.0 110.298 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.59 -37.65 41.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 109.944 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.07 -40.07 88.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.753 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.87 -27.71 65.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.998 -1.064 . . . . 0.0 110.216 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.61 -16.4 39.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.874 -1.141 . . . . 0.0 109.125 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 58.6 -139.56 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.509 -0.744 . . . . 0.0 109.982 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -85.02 -0.03 53.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.386 -0.821 . . . . 0.0 109.884 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.45 78.47 5.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.978 -1.076 . . . . 0.0 109.805 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.98 -25.15 63.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.213 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.22 -40.45 90.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.924 . . . . 0.0 110.075 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.51 70.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.08 -1.012 . . . . 0.0 109.728 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -60.85 -40.07 91.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.67 83.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.893 -1.129 . . . . 0.0 109.299 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -67.41 -38.02 83.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 0.0 110.202 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.29 -39.92 78.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.014 -1.054 . . . . 0.0 110.193 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -94.93 -0.55 53.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.262 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 m120 51.68 48.94 21.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.32 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 mt -116.3 150.65 45.71 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.316 -0.865 . . . . 0.0 109.387 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.35 156.98 60.6 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.219 1.946 . . . . 0.0 111.456 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.73 -24.87 2.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.356 2.037 . . . . 0.0 113.473 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -50.32 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.831 -1.168 . . . . 0.0 110.685 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.16 -40.1 29.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 120.741 -1.224 . . . . 0.0 110.507 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.04 67.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.915 -1.115 . . . . 0.0 109.467 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.42 -39.87 92.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.451 -0.781 . . . . 0.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.05 -39.96 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -40.02 82.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.12 -22.58 62.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.7 -0.625 . . . . 0.0 109.91 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.9 m -95.2 -35.95 11.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.06 -1.025 . . . . 0.0 109.307 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.6 t -59.41 128.07 35.24 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -75.34 -33.91 61.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.236 -0.915 . . . . 0.0 110.97 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.09 -41.44 74.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.082 -1.011 . . . . 0.0 110.53 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -87.01 0.93 54.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.216 -0.928 . . . . 0.0 110.31 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.4 tp-100 -69.78 -59.32 3.02 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.009 -1.057 . . . . 0.0 109.573 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.43 124.17 32.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 0.0 109.577 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.0 mptp? -78.13 147.5 34.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.0 108.984 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.84 80.49 0.01 OUTLIER Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 50' ' ' MET . 98.3 mt-10 -149.2 -57.73 0.21 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.118 -1.225 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.48 -89.97 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.824 -0.548 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . 26.9 ttt -160.35 71.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.984 . . . . 0.0 110.131 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -84.24 -21.79 31.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.055 -1.028 . . . . 0.0 109.371 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.74 79.08 0.03 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -80.94 -8.56 59.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.217 -1.166 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.5 t -135.16 119.2 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.632 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.7 mt -97.27 142.34 29.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.0 110.963 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 5' ' ' ILE . 87.5 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -13.79 0.23 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.6 mt -60.27 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.282 -1.128 . . . . 0.0 108.812 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.27 -39.91 88.5 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 63.6 tttp -61.83 -38.84 89.67 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.8 -32.86 67.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 110.169 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.24 -40.16 89.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.032 -1.043 . . . . 0.0 110.149 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.39 -40.0 89.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.194 -0.941 . . . . 0.0 111.053 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 11' ' ' GLU . 56.2 mp0 -93.11 -0.9 56.9 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.931 -1.106 . . . . 0.0 110.375 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.53 -37.87 41.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.09 -1.006 . . . . 0.0 109.877 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.199 -0.938 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.85 -27.64 65.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.01 -1.056 . . . . 0.0 110.353 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.63 -16.35 39.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.827 -1.17 . . . . 0.0 109.154 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 58.66 -139.39 0.77 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.64 -0.663 . . . . 0.0 109.932 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -84.98 -0.03 52.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.84 . . . . 0.0 109.926 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.66 78.55 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.988 -1.07 . . . . 0.0 109.79 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.08 -25.08 63.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.398 -0.813 . . . . 0.0 109.136 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.38 -40.45 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 0.0 110.079 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.66 70.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.113 -0.992 . . . . 0.0 109.713 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -60.8 -40.06 91.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.04 84.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.01 -1.056 . . . . 0.0 109.265 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -67.22 -37.92 84.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.333 -0.854 . . . . 0.0 110.289 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.22 -40.14 78.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.158 -0.964 . . . . 0.0 110.126 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.05 -0.21 53.86 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 m120 51.39 49.02 21.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 110.387 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -116.5 150.78 46.11 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.364 -0.835 . . . . 0.0 109.286 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.44 156.97 60.46 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.182 1.921 . . . . 0.0 111.628 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.6 -25.07 2.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.439 2.093 . . . . 0.0 113.543 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.815 -1.178 . . . . 0.0 110.61 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.38 -40.19 28.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.885 -1.135 . . . . 0.0 110.508 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.883 -1.136 . . . . 0.0 109.602 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.05 -40.12 88.35 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.376 -0.827 . . . . 0.0 109.538 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.39 -39.98 92.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 110.54 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.01 -40.05 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -22.89 63.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.76 -0.588 . . . . 0.0 109.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.3 m -94.9 -35.88 11.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.066 -1.021 . . . . 0.0 109.41 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.37 127.97 34.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -75.29 -33.84 61.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.192 -0.943 . . . . 0.0 110.935 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.13 -41.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.0 110.517 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.03 0.79 54.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.126 -0.984 . . . . 0.0 110.201 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -69.68 -59.63 2.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.979 -1.076 . . . . 0.0 109.505 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.04 124.46 32.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.492 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' B' ' 48' ' ' GLU . 5.0 mptp? -78.49 147.63 33.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.91 80.41 0.01 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 50' ' ' MET . 98.3 mt-10 -149.04 -57.73 0.21 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.132 -1.217 . . . . 0.0 109.236 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 38.63 -89.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.179 0.514 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 48' ' ' GLU . 26.8 ttt -160.39 70.55 0.42 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.125 -0.984 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.39 -21.88 32.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.66 78.92 0.02 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -80.77 -8.64 59.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.287 -1.125 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.18 119.17 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.621 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.52 142.23 31.28 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.837 0.827 . . . . 0.0 111.592 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.06 -38.29 82.39 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -12.37 0.17 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 3' ' ' ASP . 42.5 mt -59.93 -38.16 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.437 -1.037 . . . . 0.0 109.061 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 52.8 t0 -59.93 -37.68 80.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 108.918 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.57 -36.73 84.63 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.85 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 109.665 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.89 -41.39 91.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.062 . . . . 0.0 109.546 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.81 -39.91 90.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.321 -0.862 . . . . 0.0 110.001 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.04 7.35 44.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.208 -0.933 . . . . 0.0 110.424 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -50.08 -47.43 53.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 108.997 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.73 -39.66 89.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.587 -0.696 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.149 -0.969 . . . . 0.0 109.881 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -85.68 -11.86 52.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 59.26 -134.37 0.89 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.541 -0.725 . . . . 0.0 110.525 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.2 0.92 54.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 0.0 110.39 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.27 78.02 6.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.935 -1.103 . . . . 0.0 109.194 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.93 -26.29 64.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.155 -0.965 . . . . 0.0 110.036 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.035 -1.04 . . . . 0.0 110.083 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.32 93.29 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 108.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.5 ttm -60.03 -45.24 93.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.829 . . . . 0.0 109.541 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.34 -43.95 92.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.271 -0.893 . . . . 0.0 109.505 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -63.66 -39.98 95.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 0.0 110.439 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.0 -40.51 75.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.166 -0.959 . . . . 0.0 110.909 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.67 0.02 52.18 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.043 -1.036 . . . . 0.0 109.333 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.6 m120 53.72 50.04 17.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.36 -0.837 . . . . 0.0 110.147 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.8 mt -120.13 152.67 54.79 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.69 150.83 45.68 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.01 1.807 . . . . 0.0 111.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -40.97 -23.88 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.439 2.093 . . . . 0.0 113.197 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.05 -50.44 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.954 -1.091 . . . . 0.0 110.281 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.93 -40.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.321 -0.862 . . . . 0.0 110.562 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.13 78.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.076 -1.015 . . . . 0.0 109.257 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.11 -39.94 91.86 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.298 -0.876 . . . . 0.0 110.109 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.33 -40.6 94.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.79 -40.76 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.09 -39.98 85.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.57 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.87 -18.0 62.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.815 -0.553 . . . . 0.0 110.277 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -94.1 -38.11 11.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.805 -1.184 . . . . 0.0 109.051 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.45 131.82 51.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 108.791 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -78.38 -33.01 49.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.557 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -70.31 -40.1 74.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.979 -1.076 . . . . 0.0 110.407 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.9 m -86.25 -1.87 57.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.999 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.5 tp-100 -69.66 -58.79 3.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.86 -1.15 . . . . 0.0 109.657 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.35 139.17 30.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.21 131.47 36.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.177 -0.952 . . . . 0.0 109.432 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.06 -140.07 6.16 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -82.17 144.56 30.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.382 -1.07 . . . . 0.0 109.02 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.38 -39.77 77.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 109.792 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.8 mmm -71.81 138.91 48.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.24 -0.912 . . . . 0.0 108.974 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.5 m80 53.41 41.22 32.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.93 136.76 50.99 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -81.05 131.74 35.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -1.123 . . . . 0.0 109.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.04 -77.8 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.152 -0.967 . . . . 0.0 108.994 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.163 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -99.46 142.24 31.19 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.813 0.816 . . . . 0.0 111.458 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 5' ' ' ILE . 96.7 m-20 -60.11 -38.47 83.1 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -12.36 0.15 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.54 ' H ' ' C ' ' B' ' 3' ' ' ASP . 43.0 mt -59.99 -38.21 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.438 -1.036 . . . . 0.0 109.029 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 52.4 t0 -59.84 -37.8 80.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 108.802 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -65.64 -36.49 83.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 109.439 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.82 72.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.609 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.99 -41.45 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.009 -1.057 . . . . 0.0 109.419 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.56 -40.09 90.33 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.245 -0.91 . . . . 0.0 110.086 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -92.94 7.57 43.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.175 -0.953 . . . . 0.0 110.441 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -50.27 -47.34 55.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.818 -1.176 . . . . 0.0 108.964 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.57 -40.04 90.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.588 -0.695 . . . . 0.0 110.233 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.16 -0.962 . . . . 0.0 110.049 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -85.79 -11.85 52.43 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 59.39 -134.41 0.88 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.745 . . . . 0.0 110.602 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.37 1.05 54.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.468 -0.77 . . . . 0.0 110.351 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.37 77.93 7.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.092 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.95 -26.09 63.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.148 -0.97 . . . . 0.0 110.222 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.96 -40.14 88.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.03 -1.044 . . . . 0.0 110.238 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.25 93.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 108.927 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.8 ttm -60.14 -45.55 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.508 -0.745 . . . . 0.0 109.532 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.99 -44.13 91.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.451 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -63.65 -39.98 95.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.0 110.492 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.04 -40.12 75.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.076 -1.015 . . . . 0.0 110.947 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.95 0.06 51.35 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.985 -1.072 . . . . 0.0 109.184 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 53.66 50.08 17.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.328 -0.857 . . . . 0.0 110.197 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -120.15 152.73 54.93 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.538 -0.726 . . . . 0.0 109.041 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 150.83 45.5 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.061 1.841 . . . . 0.0 112.018 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.01 -23.82 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.399 2.066 . . . . 0.0 113.166 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.86 -50.59 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.861 -1.149 . . . . 0.0 110.412 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.91 -40.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.056 -1.027 . . . . 0.0 109.234 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.64 -40.05 90.54 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.53 -40.27 94.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 109.977 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.14 -40.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.41 -40.05 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -62.71 -19.16 63.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.824 -0.548 . . . . 0.0 110.213 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -93.07 -38.13 11.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.023 -1.048 . . . . 0.0 109.29 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -60.31 132.04 52.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.21 -0.931 . . . . 0.0 108.686 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -78.38 -33.02 49.15 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.229 -0.919 . . . . 0.0 110.609 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -70.41 -40.02 74.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 110.408 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -86.32 -2.11 58.11 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.065 -1.022 . . . . 0.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 68.3 tp60 -69.25 -59.06 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.869 -1.144 . . . . 0.0 109.514 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.4 138.91 31.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -78.81 131.39 36.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.172 -0.955 . . . . 0.0 109.507 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.95 -140.02 6.04 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -82.01 144.38 30.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.45 -1.029 . . . . 0.0 109.146 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.99 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.071 -1.018 . . . . 0.0 109.778 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.8 mmm -71.63 139.53 49.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.076 -1.015 . . . . 0.0 108.899 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.8 m80 52.93 41.3 31.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 109.465 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.08 136.8 50.89 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -80.86 131.69 35.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -1.067 . . . . 0.0 109.192 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.96 -77.84 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 109.074 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.13 179.676 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -102.06 140.04 36.88 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.553 0.692 . . . . 0.0 110.803 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 5' ' ' ILE . 56.7 t0 -60.04 -40.0 87.86 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.05 -9.98 0.26 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 3' ' ' ASP . 30.4 mt -59.97 -32.27 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -1.116 . . . . 0.0 108.634 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 89.0 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.161 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.27 85.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.525 -0.734 . . . . 0.0 109.508 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -33.64 69.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.907 . . . . 0.0 109.857 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.021 -1.049 . . . . 0.0 109.796 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' A' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.46 86.11 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.955 -1.091 . . . . 0.0 110.057 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -89.95 1.23 56.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 110.232 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -40.06 39.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.0 109.401 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.07 -39.63 86.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 109.438 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 68.6 mttm -63.23 -36.82 84.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 0.0 110.162 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -85.92 -19.38 30.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.924 -1.11 . . . . 0.0 109.556 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 31.3 m80 58.04 -134.5 1.07 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.401 -0.812 . . . . 0.0 109.778 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -84.51 -5.4 59.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 110.468 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -80.33 81.28 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.863 -1.148 . . . . 0.0 109.78 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -70.0 -23.8 63.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.17 -0.956 . . . . 0.0 109.154 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.4 -40.07 89.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 0.0 109.798 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.72 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.3 ttm -60.72 -49.05 79.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 109.615 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.37 -38.39 71.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.158 -0.964 . . . . 0.0 110.194 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.08 -1.013 . . . . 0.0 110.843 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.56 -39.89 73.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.941 -1.1 . . . . 0.0 110.732 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.59 -4.55 47.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.104 -0.998 . . . . 0.0 109.441 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.8 m120 52.19 49.4 20.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 0.0 110.189 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 mt -116.74 161.27 33.02 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.452 -0.78 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -70.62 160.7 48.58 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.422 1.415 . . . . 0.0 110.924 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.42 -20.45 33.03 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.198 1.932 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -50.1 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.326 -0.859 . . . . 0.0 110.141 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.27 -44.81 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 111.147 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.847 -1.158 . . . . 0.0 109.96 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.06 -39.98 87.89 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.291 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.77 -40.16 96.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 110.5 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 36' ' ' ILE . 96.7 mt -60.38 -41.57 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.28 -40.05 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.536 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.58 -22.09 63.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.457 -0.777 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 m -91.91 -38.38 12.33 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.928 -1.107 . . . . 0.0 109.406 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.4 t -59.55 127.71 33.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -78.43 -27.09 46.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.08 -40.64 64.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.956 -1.09 . . . . 0.0 110.104 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -86.2 -1.23 57.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.068 . . . . 0.0 109.905 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.9 tp-100 -70.09 -59.97 2.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.112 -0.992 . . . . 0.0 110.451 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -91.41 135.98 33.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.247 -0.908 . . . . 0.0 109.593 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -80.75 -9.96 59.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.515 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 163.21 33.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 86.6 tt0 -76.44 -39.97 51.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -1.1 . . . . 0.0 109.806 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 48' ' ' GLU . . . 73.42 122.17 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.432 -0.792 . . . . 0.0 109.202 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.9 ttp -159.56 -48.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.111 -0.993 . . . . 0.0 109.829 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -85.52 126.47 33.88 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.89 0.01 OUTLIER Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.41 149.65 30.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.072 -1.251 . . . . 0.0 108.956 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.62 134.21 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.295 -0.878 . . . . 0.0 109.462 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.49 -179.752 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 70.4 mt -102.08 140.04 36.89 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.571 -0.705 . . . . 0.0 110.798 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 5' ' ' ILE . 56.7 t0 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.94 -10.16 0.26 Allowed Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.544 ' H ' ' C ' ' B' ' 3' ' ' ASP . 30.1 mt -59.91 -32.34 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -1.117 . . . . 0.0 108.634 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 89.1 m-20 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.184 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.41 85.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.421 -0.799 . . . . 0.0 109.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.26 -33.75 69.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.837 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.03 -44.72 94.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.977 -1.077 . . . . 0.0 109.829 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' B' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.47 86.14 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.003 -1.061 . . . . 0.0 110.062 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -89.98 1.44 56.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.87 -40.07 41.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.026 -1.046 . . . . 0.0 109.46 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.419 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 68.7 mttm -63.08 -36.76 84.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 110.226 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -85.99 -19.4 30.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.881 -1.137 . . . . 0.0 109.559 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 31.4 m80 58.08 -134.44 1.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.731 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.6 m -84.57 -5.29 59.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.35 81.18 6.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.143 . . . . 0.0 109.806 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -69.95 -23.85 63.26 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.168 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -40.07 89.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.848 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.53 94.98 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.245 -0.909 . . . . 0.0 108.949 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.3 ttm -60.75 -49.16 78.6 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.343 -0.848 . . . . 0.0 109.565 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.23 -38.45 71.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -0.961 . . . . 0.0 110.233 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.63 88.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.02 -1.05 . . . . 0.0 110.78 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.57 -39.93 73.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.982 -1.074 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -94.55 -4.53 47.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.105 -0.997 . . . . 0.0 109.472 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 52.11 49.35 20.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.87 . . . . 0.0 110.167 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 mt -116.68 161.31 32.72 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.433 -0.792 . . . . 0.0 109.098 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.6 160.62 48.85 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.389 1.392 . . . . 0.0 110.834 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.39 -20.51 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.147 1.898 . . . . 0.0 111.047 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.198 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.24 -44.48 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.966 -1.084 . . . . 0.0 111.144 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.65 80.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.79 -1.194 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.12 -39.87 87.77 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.341 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.96 -39.98 96.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.43 -41.66 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.781 -1.2 . . . . 0.0 108.062 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.23 -40.07 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.3 63.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.579 -0.701 . . . . 0.0 109.986 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -91.68 -38.42 12.43 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.925 -1.11 . . . . 0.0 109.5 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.47 127.72 33.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 108.51 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -78.51 -26.95 46.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 110.373 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.17 -40.55 64.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.834 -1.166 . . . . 0.0 110.159 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.3 m -86.27 -1.33 57.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 109.921 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.99 -60.09 2.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.074 -1.016 . . . . 0.0 110.446 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -91.4 135.99 33.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -80.69 -9.92 59.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.122 -0.987 . . . . 0.0 109.584 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.87 163.24 33.44 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' B' ' 49' ' ' ALA . 86.6 tt0 -76.38 -40.09 51.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.365 -1.079 . . . . 0.0 109.839 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' B' ' 48' ' ' GLU . . . 73.58 121.95 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 109.18 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 47.9 ttp -159.35 -49.03 0.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.097 -1.002 . . . . 0.0 109.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -85.01 126.74 33.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.328 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.64 57.91 0.01 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.5 149.74 29.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.0 -1.294 . . . . 0.0 108.914 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.75 134.32 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.233 -0.917 . . . . 0.0 109.336 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.3 t0 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.463 -179.783 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -99.33 140.02 34.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.537 -0.727 . . . . 0.0 110.857 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.14 -39.9 87.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.4 -12.35 0.18 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -59.93 -35.56 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.272 -1.134 . . . . 0.0 108.642 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.9 -40.08 87.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.22 -39.13 93.75 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.26 79.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.01 -41.82 92.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 109.158 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.74 -39.95 93.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.414 -0.804 . . . . 0.0 110.03 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.96 1.88 56.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.317 -0.864 . . . . 0.0 110.611 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -50.66 -42.15 56.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.907 -1.121 . . . . 0.0 109.187 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.78 -38.67 86.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.346 -0.847 . . . . 0.0 109.603 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 50.4 tptt -59.93 -40.04 87.58 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.423 -0.798 . . . . 0.0 109.598 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.14 -14.52 43.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.993 -1.067 . . . . 0.0 109.761 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.7 0.95 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.252 -0.905 . . . . 0.0 110.229 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m -84.9 -2.46 57.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.476 -0.765 . . . . 0.0 110.005 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.82 72.39 6.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.69 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.88 -26.17 64.06 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.811 . . . . 0.0 108.984 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.49 -40.11 90.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.305 -0.872 . . . . 0.0 109.596 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.92 -44.88 79.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.627 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.87 -40.42 97.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.96 84.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 50.4 m -68.65 -35.26 77.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.458 -0.776 . . . . 0.0 110.223 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.16 -42.93 75.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.98 . . . . 0.0 109.458 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.68 -0.04 56.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.492 -0.755 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 51.16 49.95 20.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.116 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -116.98 152.29 48.53 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.582 -0.699 . . . . 0.0 109.12 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.03 152.05 45.48 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.002 1.802 . . . . 0.0 112.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.4 -25.75 0.3 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.507 2.138 . . . . 0.0 113.524 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -50.18 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 0.0 110.398 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.31 -41.74 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.101 -0.999 . . . . 0.0 109.841 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.04 83.49 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.19 -0.944 . . . . 0.0 109.06 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -60.28 -40.12 89.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.083 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -64.26 -40.19 95.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.428 -0.795 . . . . 0.0 110.299 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.53 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.11 -40.07 82.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.58 -18.98 34.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.716 -0.615 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -92.22 -46.68 7.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 0.0 108.744 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -59.93 128.12 35.27 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.96 -26.15 40.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.001 -1.062 . . . . 0.0 110.447 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.38 -44.74 50.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.066 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.28 -26.16 42.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.6 tt0 -74.85 -64.99 0.93 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.13 . . . . 0.0 109.517 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.33 121.44 28.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 108.942 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -82.95 103.34 12.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.13 -145.5 2.36 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -85.57 139.3 31.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -1.058 . . . . 0.0 108.914 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' A' ' 51' ' ' HIS . . . -68.78 -82.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.141 -0.975 . . . . 0.0 109.731 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.9 ttt 54.88 11.29 0.46 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.144 -0.972 . . . . 0.0 109.275 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.411 ' H ' ' C ' ' A' ' 49' ' ' ALA . 4.6 t-160 -153.08 164.19 38.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.701 -1.25 . . . . 0.0 109.272 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.61 67.41 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.9 136.6 33.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.183 -1.187 . . . . 0.0 109.183 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.84 133.73 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.516 -0.74 . . . . 0.0 109.616 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.4 t0 . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.297 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.46 140.02 34.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.547 -0.72 . . . . 0.0 110.867 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' B' ' 5' ' ' ILE . 97.1 m-20 -60.11 -39.88 87.74 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.39 -12.28 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.535 ' H ' ' C ' ' B' ' 3' ' ' ASP . 49.8 mt -59.91 -35.63 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.375 -1.074 . . . . 0.0 108.647 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.13 -39.24 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.3 79.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.589 -0.695 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.03 -41.68 92.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.104 -0.997 . . . . 0.0 109.139 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -40.06 93.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.421 -0.799 . . . . 0.0 110.077 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.87 1.86 56.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.563 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -50.66 -42.23 56.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 0.0 109.153 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.67 -38.58 85.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.291 -0.881 . . . . 0.0 109.706 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 50.4 tptt -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 109.518 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.09 -14.53 44.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.732 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' B' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.62 0.95 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.128 -0.983 . . . . 0.0 110.244 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -84.94 -2.37 57.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.322 -0.861 . . . . 0.0 110.028 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -79.78 72.23 6.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.055 . . . . 0.0 108.81 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.75 -26.17 64.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.384 -0.823 . . . . 0.0 109.021 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.58 -40.13 90.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.87 79.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 109.696 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.4 ttp -62.78 -40.47 97.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.636 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.01 84.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.919 -1.113 . . . . 0.0 109.166 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 50.0 m -68.55 -35.44 77.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.487 -0.758 . . . . 0.0 110.142 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -68.92 -43.02 76.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.66 -0.03 56.26 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.9 m120 51.2 49.95 20.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -116.98 152.15 48.35 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.435 -0.79 . . . . 0.0 109.104 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.95 152.1 45.96 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.01 1.807 . . . . 0.0 111.949 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.52 -25.79 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.604 2.203 . . . . 0.0 113.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -50.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.902 -1.124 . . . . 0.0 110.42 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.16 -41.59 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.125 -0.984 . . . . 0.0 109.972 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.94 83.97 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -60.51 -39.93 89.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.341 -0.849 . . . . 0.0 109.043 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -40.14 95.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.255 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.68 -40.06 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.28 -40.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.0 34.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.746 -0.596 . . . . 0.0 109.699 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -92.16 -46.78 7.58 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 108.71 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.03 128.13 35.31 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.01 -26.08 39.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.026 -1.046 . . . . 0.0 110.4 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.31 -44.77 51.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.969 -1.082 . . . . 0.0 110.094 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.29 -26.16 42.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 110.368 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -74.8 -65.28 0.89 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.915 -1.116 . . . . 0.0 109.514 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.2 mt -86.1 121.46 28.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 108.871 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -82.92 103.19 12.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.327 -0.858 . . . . 0.0 109.735 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.28 -145.47 2.52 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -85.61 139.37 31.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -1.083 . . . . 0.0 108.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' B' ' 51' ' ' HIS . . . -68.92 -82.38 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.03 . . . . 0.0 109.696 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 17.9 ttt 54.59 11.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.416 ' H ' ' C ' ' B' ' 49' ' ' ALA . 4.6 t-160 -152.99 164.24 38.34 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.692 -1.255 . . . . 0.0 109.372 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.6 67.37 0.06 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.299 . . . . 0.0 109.161 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.7 m -106.83 133.57 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.413 -0.804 . . . . 0.0 109.608 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.317 179.732 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.0 139.62 34.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.378 -0.826 . . . . 0.0 110.779 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 5' ' ' ILE . 27.0 p-10 -60.54 -40.07 90.23 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -48.98 -10.65 0.14 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.533 ' H ' ' C ' ' A' ' 3' ' ' ASP . 35.2 mt -59.93 -32.12 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.23 -1.159 . . . . 0.0 108.516 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.92 -39.92 87.09 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' CB ' ' HZ1' ' A' ' 7' ' ' LYS . 8.1 ttpm? -64.45 -39.03 93.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 109.222 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.68 69.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.05 -40.6 89.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.941 -1.099 . . . . 0.0 109.008 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.3 -39.3 86.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.543 -0.723 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.96 0.97 56.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.207 -0.933 . . . . 0.0 110.128 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.58 -47.42 57.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.133 -0.979 . . . . 0.0 109.089 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 43.3 mp0 -60.37 -39.23 86.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.0 108.9 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.1 tttt -61.22 -39.81 91.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.205 -0.935 . . . . 0.0 109.017 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.88 -15.68 43.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.928 . . . . 0.0 109.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 30.8 m80 58.07 -136.02 0.98 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.419 -0.8 . . . . 0.0 109.902 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -84.61 -2.29 57.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.802 . . . . 0.0 110.017 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.36 80.2 6.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.077 -1.015 . . . . 0.0 109.639 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.47 -23.51 62.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.945 . . . . 0.0 109.842 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.61 -41.74 95.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.149 -0.969 . . . . 0.0 110.268 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.16 90.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.363 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttm -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.297 -0.877 . . . . 0.0 109.287 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.52 -40.62 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 110.056 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -67.28 -39.64 86.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.7 -40.86 76.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.143 -0.973 . . . . 0.0 110.661 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -98.44 1.28 46.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.336 -0.852 . . . . 0.0 109.337 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.1 m120 52.39 47.88 23.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 110.153 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -114.36 154.41 46.43 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.45 -0.781 . . . . 0.0 109.218 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.39 159.95 48.07 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.102 1.868 . . . . 0.0 111.31 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.53 -24.8 23.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 112.356 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.79 -50.24 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.1 -1.0 . . . . 0.0 110.448 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.67 -43.42 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 111.127 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.17 74.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.849 -1.157 . . . . 0.0 109.713 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.22 -39.96 88.5 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.404 -0.81 . . . . 0.0 109.129 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.01 -40.05 94.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.568 -0.708 . . . . 0.0 110.032 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 36' ' ' ILE . 83.7 mt -60.13 -41.9 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.84 -1.162 . . . . 0.0 108.279 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -40.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.42 -21.17 63.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.69 -0.631 . . . . 0.0 109.954 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -88.64 -45.18 10.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.236 -0.915 . . . . 0.0 109.528 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.1 t -58.72 126.18 26.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.155 -0.965 . . . . 0.0 108.617 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -77.33 -24.59 50.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.054 -1.029 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -72.46 -40.13 67.23 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.695 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.17 1.53 52.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.056 -1.028 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.6 tp-100 -77.63 -70.18 0.49 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -0.984 . . . . 0.0 108.725 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.67 145.28 26.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 109.093 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -79.47 128.96 34.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.156 -0.965 . . . . 0.0 108.679 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.48 -152.03 2.65 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 98.7 mt-10 -87.28 19.25 3.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.232 -1.158 . . . . 0.0 109.488 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 48' ' ' GLU . . . 84.76 -147.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.798 -0.564 . . . . 0.0 109.569 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.3 mmt -76.69 127.66 33.19 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.851 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -89.95 1.98 55.63 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.412 -0.805 . . . . 0.0 109.596 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.89 13.65 1.19 Allowed Glycine 0 N--CA 1.499 2.877 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.503 HE21 ' C ' ' A' ' 55' ' ' ASP . 61.8 tt0 -80.01 133.64 36.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -1.176 . . . . 0.0 109.033 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.87 -11.15 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.503 ' C ' HE21 ' A' ' 53' ' ' GLN . 37.7 p-10 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.063 . . . . 0.0 109.531 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -98.95 139.94 33.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -0.879 . . . . 0.0 110.789 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' B' ' 5' ' ' ILE . 26.1 p-10 -60.9 -39.82 90.74 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -49.12 -10.84 0.17 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.541 ' H ' ' C ' ' B' ' 3' ' ' ASP . 35.2 mt -59.85 -31.77 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -1.094 . . . . 0.0 108.78 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.32 -39.81 88.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.437 ' CB ' ' HZ1' ' B' ' 7' ' ' LYS . 8.1 ttpm? -64.34 -39.49 93.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.489 -0.757 . . . . 0.0 109.154 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.21 69.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 109.566 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.92 -40.17 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.101 -1.0 . . . . 0.0 109.058 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.79 -39.1 87.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.293 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.97 0.66 56.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.151 -0.968 . . . . 0.0 109.96 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -50.4 -47.33 56.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.131 -0.981 . . . . 0.0 109.278 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 45.8 mp0 -60.3 -39.29 86.43 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.27 -0.894 . . . . 0.0 109.163 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.2 tttt -61.22 -39.63 90.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 0.0 109.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -85.12 -16.07 41.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.309 -0.869 . . . . 0.0 108.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 32.8 m80 58.36 -135.93 0.94 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.564 -0.71 . . . . 0.0 109.861 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -84.45 -2.43 57.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.064 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.24 80.24 6.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 109.71 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -70.73 -23.22 62.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.077 -1.014 . . . . 0.0 109.713 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.77 -41.78 96.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.898 . . . . 0.0 110.156 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.17 90.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.8 ttm -60.76 -44.37 96.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.244 -0.91 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.84 -40.3 88.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 0.0 109.872 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -67.42 -39.7 85.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.234 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.01 -40.75 75.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 110.515 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.2 1.41 47.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.6 m120 52.59 47.47 24.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 110.106 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -114.0 154.25 46.07 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.425 -0.797 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.86 159.95 49.16 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.058 1.839 . . . . 0.0 111.25 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.76 -24.49 23.67 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.529 2.153 . . . . 0.0 112.261 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -50.24 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.067 -1.02 . . . . 0.0 110.392 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.55 -43.54 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.982 -1.074 . . . . 0.0 111.113 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.12 74.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.108 . . . . 0.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.21 -40.02 88.64 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.434 -0.792 . . . . 0.0 109.101 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.08 -40.04 94.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.84 . . . . 0.0 110.0 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 36' ' ' ILE . 85.0 mt -60.17 -42.31 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.924 -1.11 . . . . 0.0 108.297 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -21.68 64.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.546 -0.721 . . . . 0.0 109.973 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -88.41 -44.77 10.51 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.306 -0.871 . . . . 0.0 109.595 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.13 126.34 27.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.937 -1.102 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.33 -24.47 50.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.946 -1.096 . . . . 0.0 109.871 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -72.52 -39.91 67.22 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.069 -1.019 . . . . 0.0 109.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.61 1.6 53.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 109.648 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 53.9 tp60 -77.58 -70.28 0.48 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.028 -1.045 . . . . 0.0 108.523 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.95 145.95 25.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -79.79 129.15 34.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.024 -1.048 . . . . 0.0 108.626 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.27 -152.33 2.37 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' B' ' 49' ' ' ALA . 98.8 mt-10 -87.12 19.66 3.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.291 -1.123 . . . . 0.0 109.393 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' B' ' 48' ' ' GLU . . . 84.39 -147.59 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.824 -0.547 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 16.3 mmt -76.46 128.26 34.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.171 -0.955 . . . . 0.0 109.348 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -89.85 1.55 56.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.52 -0.738 . . . . 0.0 109.588 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.25 13.62 1.14 Allowed Glycine 0 N--CA 1.499 2.859 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.513 HE21 ' C ' ' B' ' 55' ' ' ASP . 62.0 tt0 -79.83 133.48 36.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -1.159 . . . . 0.0 109.025 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -96.97 -11.15 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.133 -0.98 . . . . 0.0 109.736 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.513 ' C ' HE21 ' B' ' 53' ' ' GLN . 36.6 p-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.098 -1.001 . . . . 0.0 109.511 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.506 0.67 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.4 mt -99.21 142.47 30.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.466 -0.771 . . . . 0.0 110.25 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 86.0 m-20 -60.04 -39.5 86.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.36 -15.56 0.25 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.964 -1.655 . . . . 0.0 108.964 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 69.4 mt -60.48 -40.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.318 -1.107 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.31 -39.95 94.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.782 . . . . 0.0 108.944 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.92 -35.48 78.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.796 . . . . 0.0 109.046 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.2 76.24 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.217 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.08 -42.96 95.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.038 -1.039 . . . . 0.0 109.062 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.56 -39.96 93.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.449 -0.782 . . . . 0.0 110.071 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -92.34 1.09 57.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.273 -0.892 . . . . 0.0 110.647 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -49.35 -44.53 44.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.907 -1.121 . . . . 0.0 109.361 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.354 -0.841 . . . . 0.0 109.486 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 80.3 tttt -62.57 -38.41 89.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 110.63 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.5 -10.99 57.98 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.839 -1.163 . . . . 0.0 110.034 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 25.1 m80 59.01 -137.19 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 109.717 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -87.63 1.43 53.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.872 . . . . 0.0 110.085 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 76.11 9.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.16 -25.9 63.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.807 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.07 -40.77 90.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.692 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.79 82.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 109.017 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -62.27 -41.77 98.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.378 -0.826 . . . . 0.0 109.771 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.49 -39.81 81.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.98 . . . . 0.0 109.122 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.81 -38.66 86.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.435 -0.791 . . . . 0.0 110.036 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.98 -39.93 75.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.11 -0.02 50.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.102 -0.999 . . . . 0.0 108.922 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.4 m120 53.58 47.42 23.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.398 -0.814 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' PRO . 45.2 mt -119.58 121.98 29.58 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.519 -0.738 . . . . 0.0 109.867 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 28' ' ' LEU . 71.4 Cg_exo -47.37 178.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.322 1.348 . . . . 0.0 111.485 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -64.93 -21.56 63.82 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.346 2.03 . . . . 0.0 113.339 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.46 -60.53 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.854 -1.154 . . . . 0.0 110.424 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.21 -40.66 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.581 -0.699 . . . . 0.0 110.54 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.76 84.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.968 -1.083 . . . . 0.0 109.378 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.482 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.03 -40.4 95.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 0.0 110.491 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.52 -40.72 85.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.99 -40.1 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.83 -18.66 60.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.749 -0.594 . . . . 0.0 110.362 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -94.26 -37.78 11.35 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.858 -1.151 . . . . 0.0 110.054 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.02 134.55 57.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.041 -1.037 . . . . 0.0 108.848 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.49 -32.7 48.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.8 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -71.24 -41.13 70.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.018 -1.051 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -84.99 5.66 28.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.023 -1.048 . . . . 0.0 109.7 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.5 tp-100 -77.42 -70.11 0.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.162 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -83.59 145.92 28.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 108.757 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.24 115.24 20.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.056 -1.028 . . . . 0.0 110.213 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.14 -135.86 11.38 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.6 158.58 25.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -1.062 . . . . 0.0 109.079 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' MET . . . -68.84 -106.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.172 -0.955 . . . . 0.0 109.8 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' ALA . 11.0 ptt? 39.52 49.92 2.04 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.581 -0.699 . . . . 0.0 110.471 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -80.12 -14.15 58.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.063 -1.023 . . . . 0.0 109.39 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.46 162.18 2.19 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -150.49 -20.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.277 -1.131 . . . . 0.0 109.581 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.42 141.83 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.267 -0.896 . . . . 0.0 109.981 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.22 -179.772 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.535 0.683 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.64 142.44 31.12 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.636 -0.665 . . . . 0.0 110.284 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' B' ' 5' ' ' ILE . 86.3 m-20 -59.93 -39.63 86.17 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.13 -16.06 0.23 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 3' ' ' ASP . 68.9 mt -60.12 -40.03 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.447 -1.031 . . . . 0.0 108.318 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.44 -39.91 94.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.448 -0.783 . . . . 0.0 109.022 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.68 -35.77 79.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.187 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.1 75.86 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.421 -0.8 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.91 -42.99 95.09 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.0 93.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.441 -0.787 . . . . 0.0 110.125 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.34 1.07 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.231 -0.918 . . . . 0.0 110.561 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -49.14 -44.81 42.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.153 . . . . 0.0 109.402 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.03 -39.08 84.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.371 -0.831 . . . . 0.0 109.496 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.428 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 80.3 tttt -62.55 -38.53 90.41 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.504 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -83.33 -11.21 57.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.851 -1.156 . . . . 0.0 110.032 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 24.5 m80 59.1 -137.55 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.659 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.9 m -87.31 1.24 53.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.457 -0.777 . . . . 0.0 110.151 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 75.92 9.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.05 -25.92 63.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.132 -0.98 . . . . 0.0 109.841 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.88 . . . . 0.0 109.725 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.59 82.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.298 -0.876 . . . . 0.0 108.971 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -62.38 -41.69 98.84 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.461 -0.774 . . . . 0.0 109.786 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.46 -40.01 81.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.168 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.5 -39.05 88.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 0.0 110.073 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.68 -40.1 76.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.085 -1.009 . . . . 0.0 110.282 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -96.01 0.05 51.18 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 108.969 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.3 m120 53.49 47.75 23.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 29' ' ' PRO . 45.0 mt -119.98 121.91 29.33 Favored Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.509 -0.744 . . . . 0.0 109.695 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' B' ' 28' ' ' LEU . 72.0 Cg_exo -47.36 178.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.501 1.467 . . . . 0.0 111.438 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.96 -21.5 63.76 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.308 2.005 . . . . 0.0 113.421 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.46 -60.78 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.0 -40.49 78.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.57 -0.706 . . . . 0.0 110.638 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.72 84.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 109.456 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.207 -0.933 . . . . 0.0 109.354 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.04 -40.27 95.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.38 -0.825 . . . . 0.0 110.416 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.57 -40.84 85.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.911 -1.118 . . . . 0.0 108.039 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.86 -40.08 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.59 60.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.694 -0.629 . . . . 0.0 110.468 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.1 m -94.23 -37.92 11.3 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.866 -1.146 . . . . 0.0 110.061 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.79 134.73 57.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.108 -0.995 . . . . 0.0 108.81 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.7 -32.82 47.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.24 -40.78 70.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.937 -1.102 . . . . 0.0 110.1 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.29 5.57 29.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.766 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -77.32 -69.94 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.191 -0.943 . . . . 0.0 109.168 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.82 145.99 28.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 108.704 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.28 115.28 20.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.021 -1.049 . . . . 0.0 110.13 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.09 -136.09 10.94 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -80.27 158.71 26.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.493 -1.004 . . . . 0.0 109.051 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 50' ' ' MET . . . -69.09 -106.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.072 -1.018 . . . . 0.0 109.679 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.4 ' C ' ' O ' ' B' ' 49' ' ' ALA . 11.0 ptt? 39.98 49.45 2.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -79.87 -14.16 58.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.031 -1.043 . . . . 0.0 109.478 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.54 162.29 2.21 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -150.36 -20.52 0.24 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.354 -1.086 . . . . 0.0 109.568 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.23 142.06 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.216 -0.928 . . . . 0.0 110.024 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.298 -179.709 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.44 32.14 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.946 0.879 . . . . 0.0 111.308 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' A' ' 5' ' ' ILE . 96.2 m-20 -59.99 -35.93 76.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 -10.96 0.25 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 3' ' ' ASP . 32.1 mt -60.0 -40.01 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.481 -1.011 . . . . 0.0 108.983 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.01 -39.66 86.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.63 -39.23 90.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.346 -0.846 . . . . 0.0 109.283 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.18 73.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 0.0 109.916 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.93 -40.08 87.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.84 -40.11 91.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.275 -0.891 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.87 8.94 44.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.894 . . . . 0.0 110.862 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.09 -44.34 51.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.701 -1.249 . . . . 0.0 108.934 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.09 -38.98 84.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -0.813 . . . . 0.0 109.617 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.344 -0.848 . . . . 0.0 110.263 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.92 -18.92 31.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.125 . . . . 0.0 109.602 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 57.06 -125.34 1.82 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.009 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -86.24 -5.72 59.13 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 110.575 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -77.92 69.43 4.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.827 -1.171 . . . . 0.0 109.288 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.95 -20.13 63.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.12 -0.987 . . . . 0.0 108.578 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.46 -39.96 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 109.116 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.87 90.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.416 -0.803 . . . . 0.0 108.956 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.7 ttm -59.97 -48.51 81.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 21.1 t -66.16 -37.95 86.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 110.084 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -70.01 -39.96 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.466 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.08 -0.02 42.69 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 9.1 m120 53.19 48.88 21.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.53 151.52 49.84 Favored Pre-proline 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 109.228 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.1 154.64 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.108 1.872 . . . . 0.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -41.13 -24.3 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.777 2.318 . . . . 0.0 113.971 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -50.01 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.884 -1.135 . . . . 0.0 110.597 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.2 -41.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.11 -0.993 . . . . 0.0 111.247 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.47 75.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.792 -1.193 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.04 -39.94 87.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.56 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.085 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 36' ' ' ILE . 96.5 mt -60.82 -43.91 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.937 -1.102 . . . . 0.0 108.75 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.29 -38.08 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.22 -24.87 65.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.64 -0.662 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.87 -30.04 16.38 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.658 -1.276 . . . . 0.0 110.219 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.41 134.99 57.51 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.973 -1.079 . . . . 0.0 108.498 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.05 -27.05 48.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -74.24 -40.04 62.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.1 -1.0 . . . . 0.0 109.912 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.28 -1.27 56.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.111 -0.993 . . . . 0.0 110.342 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.7 tp-100 -68.53 -54.71 15.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.958 -1.089 . . . . 0.0 109.667 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.43 141.68 28.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.327 -0.858 . . . . 0.0 109.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -81.85 127.92 33.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 0.0 109.314 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.15 -161.16 0.49 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.11 141.48 31.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -1.113 . . . . 0.0 109.127 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.84 -177.85 1.72 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.099 -1.0 . . . . 0.0 109.072 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.581 ' SD ' ' SD ' ' B' ' 50' ' ' MET . 4.3 mmt 59.74 16.9 5.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.695 -0.628 . . . . 0.0 109.358 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -87.4 -23.78 24.42 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.094 -1.004 . . . . 0.0 109.708 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.36 161.56 39.24 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -158.32 121.82 3.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.453 -1.027 . . . . 0.0 109.261 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.9 t -98.79 136.35 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.171 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.332 179.636 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.52 32.02 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.905 0.86 . . . . 0.0 111.277 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 5' ' ' ILE . 96.6 m-20 -59.97 -36.14 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.35 -11.1 0.23 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.545 ' H ' ' C ' ' B' ' 3' ' ' ASP . 32.1 mt -59.94 -40.03 81.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.587 -0.949 . . . . 0.0 108.95 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.98 -39.8 86.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.395 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.5 -39.24 90.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.407 -0.808 . . . . 0.0 109.246 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.05 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.0 109.882 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.04 -40.08 88.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.965 -1.085 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.86 -40.06 91.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 0.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.86 8.94 44.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.323 -0.861 . . . . 0.0 110.844 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -50.29 -44.23 53.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.778 -1.201 . . . . 0.0 108.986 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.497 -0.752 . . . . 0.0 109.729 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 110.216 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -85.77 -19.02 31.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.869 -1.144 . . . . 0.0 109.615 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.15 -125.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.79 . . . . 0.0 110.009 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -86.42 -5.84 59.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.238 -0.914 . . . . 0.0 110.483 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -77.76 69.42 4.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.298 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -69.91 -20.21 63.37 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.257 -0.902 . . . . 0.0 108.574 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -60.48 -40.0 89.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.101 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.86 91.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 108.898 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttm -60.06 -48.62 80.97 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.367 -0.833 . . . . 0.0 109.404 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.57 -40.04 86.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.858 . . . . 0.0 109.491 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.413 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 21.4 t -66.38 -37.81 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -69.98 -40.09 75.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.376 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.03 0.07 43.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.28 -0.888 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.1 m120 53.13 48.86 21.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 110.285 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.59 151.45 49.82 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 121.339 -0.851 . . . . 0.0 109.264 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.1 154.61 57.37 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.163 1.909 . . . . 0.0 112.015 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.97 -24.54 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.799 2.333 . . . . 0.0 113.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -49.86 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.871 -1.143 . . . . 0.0 110.505 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.08 -41.28 45.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.048 -1.033 . . . . 0.0 111.274 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.47 75.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.882 -1.136 . . . . 0.0 109.974 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -59.97 -39.96 87.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.585 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.06 -40.25 88.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -0.873 . . . . 0.0 109.949 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.79 -43.73 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.979 -1.076 . . . . 0.0 108.781 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.32 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.72 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.704 -0.622 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.89 -29.86 16.47 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.679 -1.263 . . . . 0.0 110.281 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.61 134.92 57.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 108.436 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.99 -27.01 48.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.015 -1.053 . . . . 0.0 109.965 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -74.22 -39.98 62.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.975 . . . . 0.0 109.898 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.23 -1.46 56.95 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.131 -0.98 . . . . 0.0 110.381 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.41 -54.61 16.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.964 -1.085 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.43 141.52 28.57 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -81.83 127.81 33.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.394 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.38 -161.3 0.53 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.15 141.57 30.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.276 -1.132 . . . . 0.0 109.066 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.72 1.68 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.083 -1.01 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.581 ' SD ' ' SD ' ' A' ' 50' ' ' MET . 4.4 mmt 59.56 16.86 5.64 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -87.13 -23.94 24.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.082 -1.012 . . . . 0.0 109.624 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.31 161.62 39.39 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -158.51 121.55 3.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.486 -1.008 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.47 136.18 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.35 -0.844 . . . . 0.0 110.231 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.309 179.538 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.0 mt -114.71 142.7 46.15 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 121.65 0.738 . . . . 0.0 110.469 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.1 m-20 -60.04 -39.13 84.89 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -13.16 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 54.6 mt -60.14 -36.42 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.348 -1.089 . . . . 0.0 108.53 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -60.03 -40.04 87.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.97 -39.86 95.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.72 77.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.478 -0.763 . . . . 0.0 109.939 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.97 -41.1 91.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.08 . . . . 0.0 108.75 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -36.94 85.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.443 -0.786 . . . . 0.0 109.973 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.89 1.27 57.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.161 -0.962 . . . . 0.0 110.723 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.41 -45.97 36.76 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.823 -1.173 . . . . 0.0 109.46 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.27 -40.03 88.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 109.737 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.5 tttt -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -0.976 . . . . 0.0 109.843 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.83 -10.22 58.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.985 -1.072 . . . . 0.0 109.229 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.8 m80 59.32 -140.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.14 -1.21 54.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.199 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.99 74.51 6.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 0.0 108.93 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -69.99 -25.35 63.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.301 -0.874 . . . . 0.0 109.778 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.71 -40.5 92.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.424 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.41 84.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.95 -46.17 91.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.376 -0.827 . . . . 0.0 109.375 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.27 -40.81 82.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.008 -1.058 . . . . 0.0 109.508 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -64.5 -38.82 92.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.865 . . . . 0.0 110.101 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.29 -39.95 78.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.46 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.01 0.04 51.15 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.2 -0.937 . . . . 0.0 109.091 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.3 m120 51.63 47.84 24.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.34 -0.85 . . . . 0.0 110.393 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.3 153.15 44.17 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 66.3 Cg_endo -73.34 147.28 41.49 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.039 1.826 . . . . 0.0 111.734 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.49 -24.38 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.307 2.005 . . . . 0.0 112.951 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -59.99 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.816 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.32 -41.44 50.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.77 68.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -0.965 . . . . 0.0 109.501 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.14 -39.96 88.15 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.146 -0.971 . . . . 0.0 109.16 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.58 96.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.827 . . . . 0.0 110.043 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.54 -40.58 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.01 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.77 -20.43 49.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.692 -0.63 . . . . 0.0 109.846 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -87.99 -44.36 11.06 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 109.228 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.1 129.88 44.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.244 -0.91 . . . . 0.0 108.666 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -77.76 -24.69 48.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.118 -0.989 . . . . 0.0 110.005 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -77.92 -48.7 15.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.14 -0.975 . . . . 0.0 111.111 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.9 m -77.97 -29.76 49.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.054 -1.029 . . . . 0.0 110.81 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.0 tt0 -69.91 -55.34 9.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.845 -1.159 . . . . 0.0 109.668 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -87.15 123.39 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.162 -0.962 . . . . 0.0 108.984 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -75.05 139.71 43.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.007 -1.058 . . . . 0.0 109.159 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.83 77.55 0.66 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ALA . 10.0 pt-20 -155.1 -48.83 0.08 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.257 -1.143 . . . . 0.0 109.609 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.29 -129.34 0.22 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.324 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.0 174.31 9.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -0.79 . . . . 0.0 109.326 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -74.37 -30.39 61.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.247 -0.908 . . . . 0.0 108.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . 68.36 139.61 0.08 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 52' ' ' GLY . 55.7 tt0 52.6 103.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -1.073 . . . . 0.0 109.824 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -90.6 124.86 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.108 -0.995 . . . . 0.0 108.909 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 t0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.654 -179.341 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.9 mt -114.76 142.7 46.18 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.617 0.722 . . . . 0.0 110.509 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 5' ' ' ILE . 89.2 m-20 -60.03 -39.09 84.7 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -13.27 0.27 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' B' ' 3' ' ' ASP . 55.2 mt -60.04 -36.38 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.336 -1.097 . . . . 0.0 108.568 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -63.23 -39.66 95.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.54 77.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.386 -0.822 . . . . 0.0 109.909 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.16 -40.97 91.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.917 -1.114 . . . . 0.0 108.796 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.85 85.11 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.906 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.99 1.47 57.29 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.239 -0.913 . . . . 0.0 110.694 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 t -48.49 -46.08 37.76 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 109.497 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.413 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.5 tttt -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.884 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -83.98 -10.07 58.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.994 -1.066 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.9 m80 59.35 -140.23 0.69 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.595 -0.69 . . . . 0.0 110.093 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.24 -1.25 54.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.0 74.43 6.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 108.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.04 -25.37 63.52 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.377 -0.827 . . . . 0.0 109.728 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.44 91.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.495 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.31 84.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.01 -46.07 92.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.364 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.43 -40.66 83.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.051 -1.031 . . . . 0.0 109.435 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -64.57 -38.98 92.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.052 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.13 -40.03 78.52 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.0 110.451 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.95 0.05 51.36 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.111 -0.993 . . . . 0.0 109.15 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.3 m120 51.43 47.86 24.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.44 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -111.33 153.23 44.16 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' B' ' 31' ' ' VAL . 66.1 Cg_endo -73.35 147.28 41.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.145 1.897 . . . . 0.0 111.802 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -40.58 -24.24 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.386 2.057 . . . . 0.0 112.876 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.2 t -59.94 -50.05 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.09 -1.006 . . . . 0.0 109.84 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.41 -41.36 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.76 68.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 109.51 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.7 97.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.521 -0.737 . . . . 0.0 109.893 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.56 -40.53 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.13 -40.03 85.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -20.44 48.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.66 -0.65 . . . . 0.0 109.86 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -87.91 -44.7 10.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 109.187 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.7 t -58.81 129.95 44.61 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 108.672 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -77.92 -24.7 48.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.064 -1.022 . . . . 0.0 109.971 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -77.9 -48.58 16.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.135 -0.978 . . . . 0.0 111.18 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.8 m -78.09 -29.81 49.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.007 -1.058 . . . . 0.0 110.837 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.69 -55.67 9.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.958 -1.089 . . . . 0.0 109.78 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.88 123.21 31.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.0 108.956 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.94 139.54 43.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 109.206 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.64 77.45 0.63 Allowed Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 49' ' ' ALA . 9.9 pt-20 -155.04 -48.66 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.123 -1.222 . . . . 0.0 109.682 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 38.17 -129.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.592 -0.692 . . . . 0.0 110.269 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.94 173.19 11.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.32 -0.862 . . . . 0.0 109.363 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -73.26 -30.43 63.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.27 -0.894 . . . . 0.0 109.068 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLN . . . 68.37 139.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 52' ' ' GLY . 55.7 tt0 52.55 103.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.443 -1.034 . . . . 0.0 109.798 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -90.48 124.66 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.074 -1.016 . . . . 0.0 108.901 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.4 t0 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.537 -179.417 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.32 144.13 26.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.587 0.708 . . . . 0.0 110.6 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.1 87.88 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.68 -14.68 0.41 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' ASP . 67.9 mt -59.98 -43.17 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.24 -1.153 . . . . 0.0 108.488 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.8 -40.07 96.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.94 -39.86 95.12 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.57 71.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.97 -42.39 94.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.17 -40.0 92.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.513 -0.742 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.4 7.22 43.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.315 -0.866 . . . . 0.0 110.197 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.78 -39.94 53.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.062 -1.024 . . . . 0.0 109.231 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.63 -39.0 86.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.387 -0.821 . . . . 0.0 110.505 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.15 -40.04 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.19 -13.02 39.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.933 -1.105 . . . . 0.0 109.522 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 58.58 -135.39 0.94 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -86.66 0.02 55.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 109.795 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 80.46 6.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.965 -1.085 . . . . 0.0 109.216 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.96 -26.38 64.08 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.505 -0.747 . . . . 0.0 109.684 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.1 -41.75 93.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.146 -0.971 . . . . 0.0 110.151 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.84 81.32 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 109.21 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.2 ttp -62.36 -43.66 98.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.916 . . . . 0.0 109.525 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.42 -40.44 86.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -63.24 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.927 . . . . 0.0 109.947 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.17 -40.04 74.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.73 0.04 52.01 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.231 -0.918 . . . . 0.0 109.681 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.8 m120 50.9 44.99 28.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 mt -110.66 115.03 54.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.514 -0.741 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' VAL . 85.8 Cg_exo -46.8 149.76 2.96 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.468 1.445 . . . . 0.0 111.472 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -39.81 -19.87 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.541 2.16 . . . . 0.0 113.409 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.3 t -60.03 -53.49 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 110.915 -178.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.11 -37.85 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 110.43 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.47 89.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.822 -1.174 . . . . 0.0 108.528 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.36 -40.0 89.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.504 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.897 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -61.01 -40.73 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.166 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.3 -40.03 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.51 56.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.529 -0.732 . . . . 0.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -87.18 -47.52 8.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.132 -0.98 . . . . 0.0 108.92 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.94 126.37 27.14 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.11 -26.16 47.87 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.176 -0.952 . . . . 0.0 109.873 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.24 -43.93 48.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.166 -0.959 . . . . 0.0 110.646 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.74 -28.75 33.18 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.966 -1.083 . . . . 0.0 110.918 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.01 -57.49 4.94 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.834 -1.166 . . . . 0.0 110.355 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -83.28 136.38 34.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.111 -0.993 . . . . 0.0 109.122 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.26 119.93 22.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.24 -159.64 0.28 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -85.42 142.9 28.92 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -1.215 . . . . 0.0 109.237 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.21 112.38 7.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.164 -0.96 . . . . 0.0 109.36 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.0 tpp -163.15 -23.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -86.44 135.74 33.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.483 -0.761 . . . . 0.0 109.048 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.09 -89.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -160.08 160.01 32.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -1.18 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.93 134.33 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.625 -179.794 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.14 144.24 25.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.499 -0.751 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.24 88.34 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -14.61 0.39 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' ASP . 67.1 mt -60.03 -43.04 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.0 108.495 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.95 -40.01 96.38 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.78 -39.93 95.46 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -34.68 71.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.652 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.18 -39.93 92.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.537 -0.727 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.42 7.37 43.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.27 -0.893 . . . . 0.0 110.203 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.78 -40.08 54.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.015 . . . . 0.0 109.166 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.51 -39.14 86.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.11 -40.06 92.35 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 0.0 110.391 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.15 -12.67 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 109.615 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 58.45 -135.34 0.96 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.86 . . . . 0.0 109.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -86.57 -0.13 55.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -0.84 . . . . 0.0 109.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.06 80.71 6.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.957 -1.089 . . . . 0.0 109.09 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.03 -26.25 63.95 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.424 -0.798 . . . . 0.0 109.697 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 0.0 110.152 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.91 80.76 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.037 -1.04 . . . . 0.0 109.213 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.4 ttp -62.24 -43.9 97.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.503 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.24 -40.29 85.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 0.0 109.761 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -63.39 -39.98 95.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.933 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.27 -39.98 74.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -95.53 0.01 52.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.238 -0.914 . . . . 0.0 109.713 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.7 m120 50.81 44.96 27.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 109.692 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -110.59 114.99 54.38 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.784 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 84.9 Cg_exo -46.83 149.68 3.03 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.473 1.449 . . . . 0.0 111.478 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -39.64 -20.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.554 2.17 . . . . 0.0 113.444 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 70.4 t -60.04 -53.34 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.874 -1.141 . . . . 0.0 110.977 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.19 -37.77 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.985 -1.072 . . . . 0.0 110.423 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.58 88.93 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.904 -1.122 . . . . 0.0 108.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.26 -40.04 88.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.465 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.01 -40.34 97.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.451 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.93 -40.93 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 120.932 -1.105 . . . . 0.0 108.098 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.21 -39.99 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.567 -0.708 . . . . 0.0 109.649 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -87.33 -47.48 8.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.131 -0.981 . . . . 0.0 108.832 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -57.91 126.31 26.89 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -77.96 -26.23 48.64 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.87 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.41 -43.67 48.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 0.0 110.697 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.4 m -81.86 -28.79 32.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 110.903 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.01 -57.54 4.88 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -83.22 136.37 34.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.034 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -78.33 119.77 22.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 108.98 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.38 -159.83 0.28 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -85.45 142.87 28.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.25 . . . . 0.0 109.228 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.94 112.34 7.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.202 -0.936 . . . . 0.0 109.329 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.4 tpp -162.95 -24.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -85.59 136.25 33.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 109.154 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.58 -89.81 0.01 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -160.14 160.01 32.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.174 -1.192 . . . . 0.0 109.91 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -111.89 134.21 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.686 -179.85 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.9 mt -102.44 139.71 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 5' ' ' ILE . 61.5 t0 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -12.46 0.14 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.528 ' H ' ' C ' ' A' ' 3' ' ' ASP . 39.2 mt -59.75 -31.81 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.347 -1.09 . . . . 0.0 108.233 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.68 -37.72 88.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.19 -0.944 . . . . 0.0 108.628 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.91 74.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 109.286 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 109.069 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.83 -39.97 91.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.429 -0.795 . . . . 0.0 109.978 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -90.06 1.63 56.13 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -49.32 -45.35 45.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.86 -39.46 89.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.634 -0.666 . . . . 0.0 109.586 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 109.386 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.25 -12.78 54.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -0.982 . . . . 0.0 109.513 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 57.42 -137.37 0.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.379 -0.825 . . . . 0.0 109.771 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m -83.55 -3.28 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.821 . . . . 0.0 109.654 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.81 76.56 6.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.98 -25.95 63.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.425 -0.797 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -40.12 93.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -0.918 . . . . 0.0 109.776 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.74 83.1 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.4 ttp -62.21 -41.86 98.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.956 . . . . 0.0 109.206 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.83 -39.9 78.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.169 -0.957 . . . . 0.0 109.18 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.09 -38.69 88.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.176 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -69.54 -43.85 72.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.699 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -91.56 -0.77 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.301 -0.874 . . . . 0.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m120 51.5 50.09 19.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.888 . . . . 0.0 110.111 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -119.45 152.01 52.27 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.439 -0.788 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 160.56 49.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 0.0 111.102 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.93 -24.04 23.14 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.03 -50.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.956 -1.09 . . . . 0.0 109.899 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.81 -42.61 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 0.0 109.928 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.83 72.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.553 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.38 -40.01 92.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.378 -0.826 . . . . 0.0 110.091 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.054 -1.029 . . . . 0.0 108.448 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.76 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.28 -24.05 62.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.644 -0.66 . . . . 0.0 110.555 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -93.93 -31.99 14.07 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.908 -1.12 . . . . 0.0 109.626 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.78 130.44 46.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.104 -0.998 . . . . 0.0 109.208 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.07 -38.68 63.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 111.199 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -70.85 -41.89 70.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.961 -1.087 . . . . 0.0 110.789 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -83.16 8.88 11.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.783 -1.198 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.5 tp-100 -77.85 -69.99 0.51 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.891 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.08 124.94 30.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.895 . . . . 0.0 109.179 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -78.67 132.41 37.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.876 . . . . 0.0 109.341 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.09 -176.75 1.15 Allowed Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.23 143.36 27.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -1.052 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -128.22 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm 54.82 39.95 31.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.951 . . . . 0.0 109.261 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -152.26 -61.31 0.16 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 0.0 109.181 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.8 -134.11 3.47 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -80.05 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -1.091 . . . . 0.0 109.14 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.25 139.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.16 -0.963 . . . . 0.0 109.568 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.627 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.4 139.78 37.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.586 -0.696 . . . . 0.0 110.956 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' B' ' 5' ' ' ILE . 60.8 t0 -59.97 -39.95 87.38 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.79 -12.58 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.524 ' H ' ' C ' ' B' ' 3' ' ' ASP . 40.1 mt -59.71 -31.82 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.32 -1.106 . . . . 0.0 108.293 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.66 -37.9 89.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.292 -0.88 . . . . 0.0 108.693 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.82 74.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 109.235 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.01 -40.22 88.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.85 -40.01 91.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.474 -0.767 . . . . 0.0 110.011 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -89.98 1.75 55.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 110.131 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.38 -45.38 45.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.037 -1.039 . . . . 0.0 109.086 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.79 -39.44 88.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.566 -0.709 . . . . 0.0 109.591 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.252 -0.905 . . . . 0.0 109.37 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -84.24 -12.85 54.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.085 -1.01 . . . . 0.0 109.508 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 57.41 -137.34 0.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.75 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -83.6 -3.1 57.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.676 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.04 76.46 6.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.274 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.4 -40.2 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.766 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.8 83.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.335 -0.853 . . . . 0.0 109.464 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.5 ttp -62.08 -41.96 98.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.23 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -39.9 78.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 0.0 109.262 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.2 -38.56 88.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.439 -0.788 . . . . 0.0 110.128 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -69.62 -43.71 72.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 109.778 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.71 -0.68 57.57 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.412 -0.805 . . . . 0.0 109.31 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.4 m120 51.48 49.89 20.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 mt -119.39 152.04 52.16 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.411 -0.805 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.0 160.56 49.19 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.215 1.943 . . . . 0.0 111.081 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.0 -24.03 23.46 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.618 2.212 . . . . 0.0 112.744 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.94 -50.12 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.924 -1.11 . . . . 0.0 109.911 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.69 -42.67 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.881 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.72 72.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.165 -0.959 . . . . 0.0 109.742 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.43 -40.04 92.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.365 -0.835 . . . . 0.0 110.114 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.1 -40.09 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.054 -1.029 . . . . 0.0 108.424 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.72 -40.02 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.4 -23.9 62.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.551 -0.718 . . . . 0.0 110.562 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.3 m -93.91 -32.05 14.05 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.927 -1.108 . . . . 0.0 109.542 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.65 130.34 46.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 109.158 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -74.11 -38.66 63.76 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.84 . . . . 0.0 111.159 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -70.76 -41.92 71.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.948 -1.095 . . . . 0.0 110.822 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.02 8.69 12.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.738 -1.226 . . . . 0.0 109.508 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -77.76 -70.05 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.256 -0.902 . . . . 0.0 109.811 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.96 124.92 30.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.129 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -78.6 132.62 37.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.94 -176.86 1.05 Allowed Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -86.28 143.47 27.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -1.086 . . . . 0.0 109.704 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.94 -128.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm 54.55 40.01 31.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.18 -0.95 . . . . 0.0 109.371 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -152.2 -61.61 0.16 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.12 -134.12 3.44 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -79.96 -70.05 0.54 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -1.073 . . . . 0.0 109.197 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.31 139.85 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.267 -0.896 . . . . 0.0 109.52 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.66 -179.76 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.22 144.57 26.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.613 0.72 . . . . 0.0 110.593 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.9 m-20 -59.88 -40.08 87.46 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 178.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -19.59 0.29 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' ASP . 82.7 mt -60.23 -40.65 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.398 -1.06 . . . . 0.0 108.358 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -60.03 -40.12 88.22 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -64.92 -39.41 93.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.548 -0.72 . . . . 0.0 109.126 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.67 79.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 0.0 109.822 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.0 -43.31 95.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.039 -1.038 . . . . 0.0 109.863 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.1 -39.9 87.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.89 11.51 33.52 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.277 -0.889 . . . . 0.0 110.539 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.8 -39.94 40.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.006 . . . . 0.0 109.439 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 98.9 mt-10 -60.09 -39.29 85.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 63.2 tttp -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.967 . . . . 0.0 109.934 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -86.21 -17.52 34.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.951 -1.093 . . . . 0.0 109.494 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 27.3 m80 58.67 -137.63 0.83 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.115 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -83.98 -3.03 57.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.032 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.67 76.92 8.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.915 -1.115 . . . . 0.0 109.477 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.56 -17.11 61.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.214 -0.928 . . . . 0.0 109.536 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG3' ' A' ' 20' ' ' ARG . 20.0 mmm-85 -60.04 -49.62 76.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.0 109.093 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.6 97.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.548 -0.72 . . . . 0.0 109.27 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -61.48 -46.71 88.85 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.307 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.13 -39.97 84.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.058 -1.026 . . . . 0.0 109.64 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -66.74 -37.76 85.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 0.0 110.153 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.084 -1.01 . . . . 0.0 109.619 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -95.15 -0.11 53.66 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.8 m120 50.86 49.11 21.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.255 -0.903 . . . . 0.0 110.139 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.48 152.25 46.87 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 121.385 -0.822 . . . . 0.0 109.422 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.93 160.15 50.69 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.117 1.878 . . . . 0.0 110.56 178.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.09 -20.88 20.04 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.406 2.071 . . . . 0.0 111.55 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.02 -55.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.034 -1.041 . . . . 0.0 110.139 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -72.57 -42.1 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.253 -0.905 . . . . 0.0 110.406 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.79 72.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 0.0 109.686 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -60.07 -40.06 88.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.264 -0.897 . . . . 0.0 109.336 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.67 -40.5 92.34 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.473 -0.767 . . . . 0.0 110.145 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.07 -43.45 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.038 -1.039 . . . . 0.0 108.463 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.74 -39.97 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -19.67 45.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.695 -0.628 . . . . 0.0 110.295 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -91.76 -41.98 10.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.95 -1.093 . . . . 0.0 109.322 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -59.4 129.95 44.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.224 -0.922 . . . . 0.0 108.667 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.3 -36.0 61.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.276 -0.89 . . . . 0.0 110.793 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.74 -43.31 69.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.009 . . . . 0.0 110.956 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.23 -30.39 38.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.86 -1.15 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -72.63 -60.03 2.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.823 -1.173 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.46 129.4 34.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.084 -1.01 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -79.04 143.85 35.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.36 -0.838 . . . . 0.0 109.055 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.92 54.65 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.1 144.39 29.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.16 -1.2 . . . . 0.0 108.781 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.22 14.25 0.05 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 110.096 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.5 mtm -79.26 -94.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.958 . . . . 0.0 108.663 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -86.53 150.31 24.34 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.246 -0.909 . . . . 0.0 109.049 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.13 90.3 0.09 OUTLIER Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -74.06 -35.11 64.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -1.137 . . . . 0.0 110.154 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.92 1.71 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.235 -0.916 . . . . 0.0 109.594 -179.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.254 179.777 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.732 0.777 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -96.17 144.46 26.38 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.654 0.74 . . . . 0.0 110.529 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.2 m-20 -60.03 -39.92 87.53 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.62 -19.59 0.31 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' ASP . 82.6 mt -60.14 -40.84 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.37 -1.077 . . . . 0.0 108.279 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.0 -39.49 93.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.551 -0.718 . . . . 0.0 109.117 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.58 79.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.792 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.06 -43.06 95.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 109.872 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.25 -40.01 88.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 0.0 110.257 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.87 11.55 33.34 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.303 -0.873 . . . . 0.0 110.538 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -49.68 -40.04 38.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.013 -1.054 . . . . 0.0 109.51 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 98.8 mt-10 -60.04 -39.41 85.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.288 -0.883 . . . . 0.0 109.876 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.478 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 63.2 tttp -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.972 -179.04 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -86.29 -17.43 34.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 26.9 m80 58.61 -137.84 0.83 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.434 -0.791 . . . . 0.0 110.089 179.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -84.02 -2.97 57.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.934 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.54 76.79 8.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.981 -1.074 . . . . 0.0 109.415 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.64 -16.94 61.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 109.546 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' B' ' 20' ' ' ARG . 20.0 mmm-85 -60.4 -49.49 77.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.009 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -41.6 97.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.498 -0.751 . . . . 0.0 109.236 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.9 ttp -61.54 -46.62 89.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.1 -40.06 84.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.951 -1.093 . . . . 0.0 109.689 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -66.78 -37.71 85.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 110.108 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -69.15 -39.85 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.117 -0.989 . . . . 0.0 109.699 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -95.19 -0.09 53.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.9 m120 50.72 49.38 21.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.65 152.3 47.11 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.06 160.08 50.9 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.208 1.939 . . . . 0.0 110.443 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.1 -20.87 20.06 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.322 2.015 . . . . 0.0 111.558 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.94 -55.47 23.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 110.17 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.53 -41.83 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.263 -0.898 . . . . 0.0 110.44 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.81 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.957 . . . . 0.0 109.591 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.0 109.387 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.59 -40.53 92.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.488 -0.757 . . . . 0.0 110.165 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.07 -43.58 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.102 . . . . 0.0 108.439 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.78 -39.92 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.96 -19.65 45.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.845 -0.534 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -91.84 -42.07 10.28 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.957 -1.09 . . . . 0.0 109.283 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.6 t -59.45 129.73 43.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 108.586 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.15 -36.19 61.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.307 -0.87 . . . . 0.0 110.775 -179.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.57 -43.0 70.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.0 110.981 -178.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 76.1 m -80.63 -30.32 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.649 -1.282 . . . . 0.0 110.525 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.59 -59.99 2.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.678 -1.264 . . . . 0.0 110.432 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -85.36 129.48 34.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -79.12 143.85 35.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.044 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.6 -50.61 56.69 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.32 144.37 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -1.167 . . . . 0.0 108.681 179.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.19 14.27 0.05 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.945 -1.097 . . . . 0.0 110.002 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.5 mtm -79.39 -94.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.003 -1.06 . . . . 0.0 108.647 179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -85.92 150.38 24.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.198 -0.939 . . . . 0.0 109.101 178.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.99 90.33 0.09 OUTLIER Glycine 0 N--CA 1.499 2.861 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -73.92 -35.07 64.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.293 -1.122 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.19 1.89 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.278 -0.889 . . . . 0.0 109.572 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.346 179.581 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.73 137.77 37.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 111.18 -178.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.6 m-20 -60.63 -39.44 88.24 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.28 -13.73 0.14 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 44.1 mt -58.69 -31.25 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -59.99 -40.12 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.04 -37.71 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.765 . . . . 0.0 108.985 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -37.17 77.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.819 . . . . 0.0 109.474 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -39.47 86.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.566 -0.709 . . . . 0.0 109.766 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -93.54 3.01 56.22 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.212 -0.93 . . . . 0.0 110.672 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.96 -47.22 52.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.73 -1.231 . . . . 0.0 109.066 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.17 -39.37 86.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.464 -0.772 . . . . 0.0 109.429 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 1.2 tmtp? -60.18 -40.03 88.56 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.278 -0.888 . . . . 0.0 109.782 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.12 -13.44 52.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.058 -1.027 . . . . 0.0 108.831 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.1 m80 58.46 -134.42 1.01 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 110.11 179.322 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.83 -7.64 59.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.263 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.71 76.87 6.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.02 -1.05 . . . . 0.0 109.797 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.28 -27.01 64.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.866 . . . . 0.0 109.83 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -60.03 -40.0 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.009 -1.057 . . . . 0.0 109.817 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 108.807 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -62.12 -43.92 97.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.343 -0.848 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.99 84.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.129 -0.982 . . . . 0.0 109.389 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -65.34 -38.43 90.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.34 -0.85 . . . . 0.0 109.911 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.87 -40.21 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.163 -0.96 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -92.7 -1.27 56.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.105 -0.997 . . . . 0.0 109.179 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.11 48.81 21.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.521 -0.737 . . . . 0.0 110.734 179.024 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.6 151.4 48.31 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.15 152.91 56.87 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.953 1.769 . . . . 0.0 112.105 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.65 -24.83 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.45 2.1 . . . . 0.0 113.02 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.74 -50.15 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.991 -1.068 . . . . 0.0 110.229 -178.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.2 -40.94 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.864 -1.147 . . . . 0.0 109.632 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.88 67.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.258 -0.902 . . . . 0.0 109.436 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.05 -39.66 86.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.135 -0.978 . . . . 0.0 109.517 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.51 -40.13 93.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.252 -0.905 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.49 -41.35 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.907 -1.121 . . . . 0.0 108.522 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.51 -39.94 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.51 -18.71 31.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.673 -0.642 . . . . 0.0 110.174 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -91.33 -44.75 8.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.849 -1.157 . . . . 0.0 108.908 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.39 127.09 30.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.0 108.86 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.86 -25.83 44.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.685 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.12 -41.67 61.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.786 -1.196 . . . . 0.0 110.375 -179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.29 -28.19 34.75 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.152 -0.968 . . . . 0.0 111.119 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.04 -58.46 3.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.152 . . . . 0.0 110.286 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.64 138.43 32.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.024 -1.048 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -77.02 118.68 19.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.672 179.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.93 -148.18 6.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.21 87.53 7.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -1.153 . . . . 0.0 108.98 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.25 -146.02 0.1 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.373 -0.83 . . . . 0.0 109.97 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.8 ttt -73.29 140.36 46.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.486 -0.759 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -78.18 -31.58 49.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.994 . . . . 0.0 109.507 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.59 -38.15 3.39 Favored Glycine 0 N--CA 1.502 3.072 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 49.94 56.9 7.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.125 -1.22 . . . . 0.0 109.619 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.2 m -92.25 12.97 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.418 -0.801 . . . . 0.0 109.937 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.11 -0.993 . . . . 0.0 109.351 179.912 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.7 mt -99.43 137.73 37.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 111.227 -178.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.8 m-20 -60.73 -39.4 88.51 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.109 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.12 -13.73 0.12 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 179.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 44.5 mt -58.83 -31.17 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.13 -39.99 88.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -65.2 -37.91 88.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.34 77.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 109.505 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.21 -39.88 88.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.177 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.547 -0.721 . . . . 0.0 109.768 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.42 3.02 56.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.182 -0.949 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.9 -47.18 52.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.873 -1.142 . . . . 0.0 109.088 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.29 -39.38 86.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.376 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.456 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 1.3 tmtp? -60.13 -39.87 87.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.299 -0.875 . . . . 0.0 109.781 -179.659 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.2 -13.58 52.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.003 . . . . 0.0 108.854 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.456 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.2 m80 58.56 -134.5 0.99 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.476 -0.765 . . . . 0.0 110.092 179.281 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.81 -7.37 59.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.444 -0.785 . . . . 0.0 110.338 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.99 77.0 6.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.751 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -70.46 -26.88 63.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.431 -0.793 . . . . 0.0 109.826 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -60.04 -40.04 88.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.68 79.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 108.754 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -62.34 -43.98 97.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.222 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.1 83.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.163 -0.96 . . . . 0.0 109.449 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -65.2 -38.59 90.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.926 . . . . 0.0 109.925 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.102 -0.999 . . . . 0.0 110.545 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.46 -1.14 57.2 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.027 -1.046 . . . . 0.0 109.24 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 52.96 48.87 21.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.78 179.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.58 151.42 48.32 Favored Pre-proline 0 N--CA 1.501 2.124 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.26 152.98 56.36 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.994 1.796 . . . . 0.0 111.996 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.73 -24.71 0.28 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.511 2.141 . . . . 0.0 113.158 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.86 -50.03 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.02 -1.05 . . . . 0.0 110.07 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.29 -40.89 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.995 -1.066 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.68 68.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 109.4 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.033 -1.042 . . . . 0.0 109.411 178.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.08 -40.21 92.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.283 -0.886 . . . . 0.0 110.528 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.21 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.526 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.6 -39.92 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -19.0 32.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.766 -0.584 . . . . 0.0 110.212 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.4 m -91.31 -44.81 8.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.857 -1.152 . . . . 0.0 108.931 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.4 127.44 31.77 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.277 -0.889 . . . . 0.0 108.723 179.041 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -79.25 -25.56 42.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.962 -1.086 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.32 -41.36 61.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 110.398 -179.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.37 -28.36 34.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.068 -1.02 . . . . 0.0 111.122 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.93 -58.55 3.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.828 -1.17 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -85.69 138.39 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.079 -1.013 . . . . 0.0 109.475 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -76.99 119.1 20.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.055 -1.028 . . . . 0.0 108.56 179.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.47 -148.1 5.95 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -88.11 87.25 7.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 108.993 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.46 -146.4 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.788 . . . . 0.0 109.921 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.74 140.01 47.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.7 -31.52 52.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.071 -1.018 . . . . 0.0 109.659 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.22 -38.05 3.45 Favored Glycine 0 N--CA 1.501 3.016 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 49.97 57.0 7.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.101 -1.235 . . . . 0.0 109.601 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -92.49 12.93 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.317 -0.864 . . . . 0.0 109.909 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.1 t0 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.492 0.663 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -98.65 140.89 32.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.583 -0.698 . . . . 0.0 110.911 -178.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.0 m-20 -59.89 -39.21 84.58 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.515 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 -14.74 0.12 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' ASP . 46.1 mt -60.03 -34.21 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.409 -1.053 . . . . 0.0 108.487 178.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.94 -39.87 87.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.63 -39.96 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.528 -0.732 . . . . 0.0 109.262 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -37.26 78.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.527 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.95 -42.24 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.061 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -39.97 92.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.76 5.52 51.37 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.13 -0.981 . . . . 0.0 110.489 -178.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -49.35 -39.99 33.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 60.2 mm-40 -60.64 -39.95 90.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.947 . . . . 0.0 109.652 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.2 tttm -60.4 -39.48 87.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.281 -0.887 . . . . 0.0 109.739 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -84.55 -16.54 41.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 22.6 m80 58.44 -135.36 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.328 -0.858 . . . . 0.0 110.144 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 m -84.87 -0.78 55.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.131 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.54 73.2 8.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 109.926 -179.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.93 . . . . 0.0 109.168 179.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.13 -40.37 89.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.88 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.72 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.259 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.84 -40.05 93.98 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.505 -0.747 . . . . 0.0 109.667 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.47 -41.74 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 0.0 109.647 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -65.49 -39.74 92.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.463 -179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.05 -40.04 78.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.021 -1.049 . . . . 0.0 110.179 -179.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -94.99 -2.27 50.74 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.019 -1.051 . . . . 0.0 109.392 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.3 m-80 51.86 50.01 19.53 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.22 -0.925 . . . . 0.0 110.14 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -117.23 151.6 48.03 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.568 -0.707 . . . . 0.0 109.255 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.82 153.8 42.98 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.032 1.821 . . . . 0.0 112.214 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -42.19 -26.58 0.55 Allowed 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.71 2.273 . . . . 0.0 112.888 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.96 -49.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.976 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -76.74 -41.26 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 110.139 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.09 66.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.515 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.02 -40.01 87.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.3 -0.875 . . . . 0.0 109.477 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.87 -40.7 96.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.43 -40.44 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.0 -39.96 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.543 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.15 -17.83 43.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.707 -0.621 . . . . 0.0 110.674 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -96.91 -36.7 10.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.79 -1.194 . . . . 0.0 110.211 -178.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 t -59.13 131.67 51.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.061 -1.024 . . . . 0.0 109.222 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.52 -34.69 63.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.274 -0.891 . . . . 0.0 110.958 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.818 -1.176 . . . . 0.0 110.172 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -87.15 0.31 55.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.087 -1.008 . . . . 0.0 110.068 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -69.85 -60.04 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.564 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.79 147.77 25.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.316 -0.865 . . . . 0.0 109.613 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.584 ' C ' ' H ' ' A' ' 48' ' ' GLU . 70.8 mmtt -79.31 168.16 19.91 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 16.13 0.07 OUTLIER Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.955 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.584 ' H ' ' C ' ' A' ' 46' ' ' LYS . 84.9 tt0 -153.4 83.09 1.18 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.697 -1.472 . . . . 0.0 108.922 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.09 -8.71 59.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.373 -0.83 . . . . 0.0 110.508 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.9 ttm -73.27 138.37 45.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.947 -1.095 . . . . 0.0 110.152 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 52' ' ' GLY . 57.2 t-80 -152.85 171.05 18.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.553 -0.717 . . . . 0.0 109.118 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 51' ' ' HIS . . . -47.42 150.81 2.28 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -77.95 147.8 34.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.197 -1.178 . . . . 0.0 110.243 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 2.8 t -96.73 -13.45 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.484 -0.76 . . . . 0.0 108.951 179.502 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 88.0 m-20 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.132 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -98.8 140.74 32.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.567 -0.708 . . . . 0.0 110.913 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.03 -39.0 84.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.5 -14.91 0.12 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.9 mt -60.01 -34.13 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.997 . . . . 0.0 108.535 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.31 -40.01 92.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.26 79.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.64 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.0 -42.25 93.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.082 -1.011 . . . . 0.0 109.016 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.02 92.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.355 -0.84 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.61 5.54 51.27 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.182 -0.949 . . . . 0.0 110.38 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -49.35 -40.39 35.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.828 -1.17 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 59.5 mm-40 -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.843 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.461 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.46 -39.45 87.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.717 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -84.3 -17.03 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.387 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 22.1 m80 58.84 -135.13 0.92 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.5 m -85.31 -0.83 55.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.388 -0.82 . . . . 0.0 110.212 -179.151 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.27 73.06 8.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.06 -1.025 . . . . 0.0 109.926 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -28.13 65.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.159 -0.963 . . . . 0.0 109.102 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.31 -40.3 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.26 80.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.261 -0.899 . . . . 0.0 109.162 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.0 ttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.665 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -41.54 85.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 109.656 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -65.88 -39.6 90.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 110.42 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.95 -40.06 79.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.091 -1.006 . . . . 0.0 110.137 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -95.1 -1.93 51.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.248 -0.907 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.6 m-80 51.5 50.05 19.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.171 -0.956 . . . . 0.0 110.203 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 mt -116.94 151.66 47.71 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.602 -0.686 . . . . 0.0 109.29 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.74 153.56 43.23 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.147 1.898 . . . . 0.0 112.206 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.08 -26.44 0.5 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.64 2.227 . . . . 0.0 113.07 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.01 -49.98 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -0.95 . . . . 0.0 109.927 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.84 -41.3 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.109 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.97 67.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.17 -39.83 87.78 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.298 -0.877 . . . . 0.0 109.534 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.07 -40.14 94.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 110.057 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.76 -40.3 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.99 -39.98 84.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.432 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -60.15 -18.24 46.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.652 -0.655 . . . . 0.0 110.581 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -96.41 -36.46 10.82 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.861 -1.149 . . . . 0.0 110.305 -178.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.56 131.67 51.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.956 -1.09 . . . . 0.0 109.152 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -74.36 -34.79 63.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.326 -0.859 . . . . 0.0 111.031 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.0 -40.09 75.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.827 -1.17 . . . . 0.0 110.035 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 45.1 m -87.0 -0.02 55.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.035 -1.041 . . . . 0.0 110.104 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -69.69 -60.06 2.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.929 -1.107 . . . . 0.0 109.56 -179.52 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.96 147.93 25.54 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.312 -0.867 . . . . 0.0 109.535 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.578 ' C ' ' H ' ' B' ' 48' ' ' GLU . 70.7 mmtt -79.4 168.59 19.28 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.47 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.44 16.0 0.07 OUTLIER Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.968 -179.341 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.578 ' H ' ' C ' ' B' ' 46' ' ' LYS . 85.0 tt0 -153.37 82.84 1.18 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.752 -1.44 . . . . 0.0 108.948 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.83 59.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.485 -0.759 . . . . 0.0 110.488 -179.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.6 ttm -72.75 138.71 46.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.898 -1.126 . . . . 0.0 110.075 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.43 ' CG ' ' N ' ' B' ' 52' ' ' GLY . 56.8 t-80 -153.04 171.3 18.6 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.54 -0.725 . . . . 0.0 109.231 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' B' ' 51' ' ' HIS . . . -47.46 151.17 2.18 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -78.46 147.6 33.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -1.18 . . . . 0.0 110.213 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 2.8 t -96.51 -13.2 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.393 -0.817 . . . . 0.0 109.028 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 87.9 m-20 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.124 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.84 143.12 32.13 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.833 0.825 . . . . 0.0 111.294 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 5' ' ' ILE . 91.4 m-20 -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 -12.92 0.23 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 3' ' ' ASP . 47.7 mt -60.98 -34.86 61.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.263 -1.139 . . . . 0.0 108.576 178.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.98 -39.25 85.06 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.02 -38.3 90.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.396 -0.815 . . . . 0.0 108.952 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.49 79.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.366 -0.834 . . . . 0.0 109.967 -179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.08 -40.92 91.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.193 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.46 -39.95 89.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.013 -1.054 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.06 1.49 57.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.175 -0.953 . . . . 0.0 110.698 -178.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.89 -43.13 28.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.843 -1.161 . . . . 0.0 109.691 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.03 -40.03 94.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.96 -39.93 93.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.41 -13.39 49.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.055 -1.028 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.74 -136.17 1.01 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.502 -0.749 . . . . 0.0 110.521 179.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 0.14 52.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.04 79.54 7.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.07 -25.12 63.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.503 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.36 73.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.231 -0.918 . . . . 0.0 109.152 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -61.34 -45.22 95.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.376 -0.827 . . . . 0.0 109.349 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 109.536 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -66.38 -37.69 85.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.519 -0.738 . . . . 0.0 109.815 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.87 -40.01 75.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.289 -0.882 . . . . 0.0 109.711 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.48 47.22 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.368 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 30.0 m120 51.15 47.66 24.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.241 -0.912 . . . . 0.0 110.34 179.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.38 131.1 22.76 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.291 -0.881 . . . . 0.0 109.77 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 96.1 Cg_exo -43.8 141.4 4.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.718 1.612 . . . . 0.0 111.931 179.025 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -39.77 -21.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.439 2.093 . . . . 0.0 113.083 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.99 -50.45 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.028 -1.045 . . . . 0.0 110.591 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.7 -41.14 62.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.858 -1.151 . . . . 0.0 110.485 -179.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.136 -0.977 . . . . 0.0 109.691 179.046 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.43 -40.41 94.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 110.187 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -40.51 83.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.17 -39.97 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.95 49.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.759 -0.588 . . . . 0.0 109.73 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -90.33 -45.6 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.123 -0.985 . . . . 0.0 108.674 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.98 126.86 29.17 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.82 -28.24 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.58 -42.95 57.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 -178.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.55 -24.37 39.31 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.08 -1.013 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.33 -48.77 66.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.829 -1.169 . . . . 0.0 110.214 -178.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' B' ' 45' ' ' LEU . 86.0 mt -88.29 121.36 30.59 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.068 -1.02 . . . . 0.0 109.07 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -79.99 -70.1 0.54 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.214 -0.929 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.93 15.04 0.02 OUTLIER Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -85.5 38.05 0.72 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -1.101 . . . . 0.0 109.344 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.89 164.36 23.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 ttt 59.46 36.29 23.06 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -83.0 158.81 22.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.547 -0.721 . . . . 0.0 109.594 -179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.55 88.96 0.02 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -78.88 146.53 33.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.167 -1.196 . . . . 0.0 109.282 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.22 137.9 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 109.661 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.336 179.973 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.5 mt -101.88 143.13 32.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.783 0.802 . . . . 0.0 111.344 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 5' ' ' ILE . 91.5 m-20 -59.97 -37.24 79.01 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -12.91 0.22 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' B' ' 3' ' ' ASP . 47.5 mt -61.11 -34.75 61.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.375 -1.073 . . . . 0.0 108.556 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.97 -39.32 85.26 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -63.08 -37.92 89.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.491 -0.756 . . . . 0.0 109.01 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.66 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -0.841 . . . . 0.0 109.96 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.99 -40.94 90.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.162 -0.961 . . . . 0.0 110.214 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.5 -39.95 89.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.051 -1.031 . . . . 0.0 109.907 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.91 1.37 57.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.172 -0.955 . . . . 0.0 110.682 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.77 -43.17 27.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.825 -1.172 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.0 -40.05 94.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.897 . . . . 0.0 110.27 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.93 -40.01 94.02 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.059 -1.025 . . . . 0.0 110.021 -179.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.53 -13.06 50.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.01 -1.056 . . . . 0.0 109.778 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 57.6 -136.34 1.01 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.413 -0.804 . . . . 0.0 110.53 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 t -84.91 0.06 52.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.364 -0.835 . . . . 0.0 110.119 -179.04 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.07 79.64 7.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.998 -1.064 . . . . 0.0 109.31 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.1 -25.15 63.37 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.408 -0.808 . . . . 0.0 109.473 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.88 -42.08 93.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.855 . . . . 0.0 110.013 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 109.106 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.373 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 109.577 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -66.31 -37.96 86.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.739 . . . . 0.0 109.823 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.56 -39.99 77.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 0.0 109.798 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.44 47.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.217 -0.927 . . . . 0.0 109.363 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 51.09 47.72 24.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 179.374 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.39 131.16 22.73 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.407 -0.808 . . . . 0.0 109.783 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 31' ' ' VAL . 94.2 Cg_exo -43.88 141.27 4.36 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.791 1.661 . . . . 0.0 111.989 178.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.75 -21.62 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.409 2.073 . . . . 0.0 113.31 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.0 -50.11 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.955 -1.091 . . . . 0.0 110.562 -178.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.02 -41.49 59.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.002 -1.061 . . . . 0.0 110.487 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.02 71.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -39.98 87.44 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.17 -0.956 . . . . 0.0 109.757 178.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.42 -40.58 94.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 110.31 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.1 -40.46 83.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.14 -39.92 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 177.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.24 51.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.688 -0.632 . . . . 0.0 109.709 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -89.68 -45.91 9.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.047 -1.033 . . . . 0.0 108.647 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.82 126.94 29.53 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.87 -28.2 44.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 110.778 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.55 -42.86 58.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 110.833 -178.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -80.75 -24.28 38.8 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.973 -1.08 . . . . 0.0 111.032 -178.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.5 -48.57 66.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.896 -1.128 . . . . 0.0 110.231 -178.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 86.9 mt -88.37 121.36 30.67 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 108.964 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -80.04 -69.95 0.55 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.97 14.62 0.02 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -85.31 38.12 0.71 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -1.094 . . . . 0.0 109.41 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.9 164.36 23.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.433 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.2 ttt 59.55 35.82 22.73 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -82.27 158.91 23.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.565 -0.709 . . . . 0.0 109.642 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.45 88.9 0.02 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -78.81 146.53 33.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -1.109 . . . . 0.0 109.257 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.3 137.88 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.355 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.14 140.5 33.21 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.919 0.866 . . . . 0.0 111.256 -178.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 5' ' ' ILE . 57.8 t0 -59.89 -38.39 82.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 -12.39 0.39 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' H ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -60.36 -34.0 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.278 -1.131 . . . . 0.0 108.2 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.05 -38.16 81.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 109.025 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.63 -39.65 94.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.389 -0.82 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.93 82.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.248 -0.908 . . . . 0.0 109.386 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.99 -41.51 92.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.163 -0.96 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.72 -40.0 95.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.83 7.85 45.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.902 . . . . 0.0 110.357 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -48.87 -41.63 33.92 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.906 -1.122 . . . . 0.0 108.964 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -34.74 74.41 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.609 -0.682 . . . . 0.0 109.358 179.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.073 -1.017 . . . . 0.0 110.289 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.43 -17.31 29.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.027 -1.046 . . . . 0.0 109.76 -179.511 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.57 -126.74 1.71 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.597 -0.689 . . . . 0.0 110.384 179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 m -88.43 -0.32 57.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.78 72.42 7.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.922 -1.111 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -69.92 -27.38 64.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.231 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.92 -44.49 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.0 109.792 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.03 84.31 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.996 -1.065 . . . . 0.0 108.467 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -61.44 -47.84 83.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.065 178.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.71 -40.12 86.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.246 -0.909 . . . . 0.0 109.057 179.692 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -68.29 -32.09 72.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.499 -0.751 . . . . 0.0 109.303 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.89 -41.81 74.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 108.716 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -95.06 -2.03 50.97 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.7 m120 52.82 42.2 31.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.301 179.334 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.26 126.63 28.84 Favored Pre-proline 0 N--CA 1.504 2.272 0 O-C-N 121.217 -0.927 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.49 153.63 1.14 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.715 1.61 . . . . 0.0 112.252 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.38 -21.9 0.5 Allowed 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.505 2.137 . . . . 0.0 113.606 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.0 -59.52 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.832 -1.167 . . . . 0.0 109.933 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.5 t -69.96 -41.47 79.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.307 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.045 -1.034 . . . . 0.0 109.509 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.17 -39.97 88.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 108.785 179.239 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.64 -41.28 97.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.476 -0.765 . . . . 0.0 110.437 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.12 -41.56 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.948 -1.095 . . . . 0.0 108.111 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.36 -40.09 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.86 -17.75 57.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.66 -0.65 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -93.73 -39.56 10.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.884 -1.135 . . . . 0.0 109.832 -179.064 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.1 132.75 54.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.026 -1.046 . . . . 0.0 108.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -75.87 -35.56 59.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.334 -0.854 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.81 -40.07 76.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.917 -1.114 . . . . 0.0 109.911 -178.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.2 m -85.41 -2.78 58.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.045 . . . . 0.0 110.059 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -65.7 -50.2 65.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.986 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -84.09 154.23 23.31 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.122 -0.987 . . . . 0.0 109.0 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -77.33 -13.73 59.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 109.502 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.52 -138.09 6.23 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -85.33 111.39 19.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.317 -1.107 . . . . 0.0 109.477 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.34 57.21 2.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.373 -0.83 . . . . 0.0 109.96 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -161.03 2.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.109 -0.995 . . . . 0.0 108.803 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -153.83 150.72 28.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.489 -0.757 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.73 30.3 0.07 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.71 131.5 36.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.569 -0.959 . . . . 0.0 109.276 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -96.15 135.25 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.301 -0.875 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 21.7 p-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.083 -0.961 . . . . 0.0 109.105 179.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.41 140.27 33.85 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.916 0.865 . . . . 0.0 111.175 -178.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 5' ' ' ILE . 57.8 t0 -59.97 -38.29 82.07 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.074 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.44 -12.42 0.34 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.502 ' H ' ' C ' ' B' ' 3' ' ' ASP . 50.1 mt -60.32 -34.25 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -1.171 . . . . 0.0 108.179 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.84 -38.31 81.7 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.405 -0.809 . . . . 0.0 108.984 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -62.41 -39.92 94.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.412 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.06 82.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.225 -0.922 . . . . 0.0 109.47 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.13 -41.2 92.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.069 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.82 -40.02 96.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.414 -0.804 . . . . 0.0 110.217 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.93 7.89 45.55 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.23 -0.919 . . . . 0.0 110.329 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.0 -41.43 34.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.846 -1.159 . . . . 0.0 108.929 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.76 -34.47 74.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.56 -0.712 . . . . 0.0 109.376 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.45 -39.93 95.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.28 -16.98 29.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.009 -1.057 . . . . 0.0 109.696 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.3 -127.01 1.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.6 -0.687 . . . . 0.0 110.388 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -88.05 -0.42 57.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -80.69 72.53 7.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.902 -1.124 . . . . 0.0 109.357 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -70.0 -27.26 64.55 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -44.52 94.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.741 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.85 85.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.036 -1.04 . . . . 0.0 108.527 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.78 -47.83 83.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.799 . . . . 0.0 109.016 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -40.28 86.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.885 . . . . 0.0 109.079 179.576 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -68.26 -32.02 71.9 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.381 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.88 -41.91 74.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.147 -0.971 . . . . 0.0 108.683 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -94.94 -2.18 51.03 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.5 m120 53.01 42.23 32.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.25 126.45 29.22 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.232 -0.918 . . . . 0.0 109.948 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.37 153.5 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.799 1.666 . . . . 0.0 112.228 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.32 -22.0 0.5 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.487 2.125 . . . . 0.0 113.496 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.75 -59.47 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.95 -1.093 . . . . 0.0 109.966 -178.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.04 -41.45 79.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.453 -0.779 . . . . 0.0 110.274 -179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.43 73.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.22 -39.93 88.36 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.324 -0.86 . . . . 0.0 108.822 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.9 -41.3 97.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.369 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.23 -41.47 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.948 -1.095 . . . . 0.0 108.119 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.35 -40.01 85.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.73 57.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.648 -0.658 . . . . 0.0 110.325 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -93.86 -39.82 10.5 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.056 -1.028 . . . . 0.0 109.791 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -59.95 132.73 54.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 108.986 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.76 -35.48 60.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.258 -0.901 . . . . 0.0 111.258 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -40.07 76.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.922 -1.111 . . . . 0.0 109.902 -178.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 34.5 m -85.53 -2.94 58.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.979 -1.076 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -65.49 -50.4 65.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.002 -1.061 . . . . 0.0 109.979 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -84.04 154.15 23.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.054 -1.029 . . . . 0.0 109.013 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -77.16 -13.93 59.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.217 -0.927 . . . . 0.0 109.515 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.72 -137.91 6.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.41 111.19 19.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.253 -1.145 . . . . 0.0 109.554 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.27 56.95 2.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.383 -0.823 . . . . 0.0 109.918 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -160.71 2.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 108.863 179.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -153.67 150.75 28.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.68 30.44 0.07 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -78.83 131.45 36.49 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.52 -0.988 . . . . 0.0 109.337 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -96.18 135.15 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -0.863 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 21.6 p-10 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.487 0.661 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.85 142.74 33.86 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.41 0.624 . . . . 0.0 110.257 -179.495 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.07 -38.33 82.52 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.161 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.02 -13.42 0.32 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' H ' ' C ' ' A' ' 3' ' ' ASP . 50.1 mt -60.83 -40.21 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -1.133 . . . . 0.0 108.552 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.1 -39.92 87.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.74 -39.11 93.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.19 76.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.773 . . . . 0.0 109.628 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.98 -40.55 89.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.018 -1.051 . . . . 0.0 108.896 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.03 -40.03 94.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 110.071 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.81 5.96 49.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -178.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.04 -44.21 41.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.856 -1.153 . . . . 0.0 109.313 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.78 -36.22 82.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.0 109.995 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.01 -14.78 46.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 58.73 -132.04 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 109.741 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -86.86 -0.56 56.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.285 -0.884 . . . . 0.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.95 78.32 6.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.95 -1.094 . . . . 0.0 109.443 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CZ2' ' NE ' ' A' ' 20' ' ' ARG . 64.3 p-90 -71.28 -20.96 62.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.171 -0.956 . . . . 0.0 109.34 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' NE ' ' CZ2' ' A' ' 19' ' ' TRP . 28.5 mmt180 -61.37 -40.1 93.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.188 -0.945 . . . . 0.0 109.618 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.95 93.98 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.321 -0.862 . . . . 0.0 108.988 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -59.92 -50.0 75.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.366 -0.834 . . . . 0.0 109.252 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.056 -1.028 . . . . 0.0 108.875 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.505 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 30.7 t -67.03 -37.23 83.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.716 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -69.99 -46.4 65.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.877 . . . . 0.0 109.928 -179.302 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.9 -0.82 50.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.366 -0.834 . . . . 0.0 109.882 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.5 m120 52.17 49.17 21.17 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.226 -0.921 . . . . 0.0 110.612 179.2 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.93 151.77 49.29 Favored Pre-proline 0 N--CA 1.507 2.416 0 O-C-N 121.25 -0.907 . . . . 0.0 110.163 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.43 159.55 10.48 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.704 1.603 . . . . 0.0 110.606 177.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.83 -19.8 40.8 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.392 2.061 . . . . 0.0 112.134 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.03 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.189 -0.944 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.44 -44.71 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.826 -1.171 . . . . 0.0 110.581 -178.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.73 -50.46 72.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.795 -1.19 . . . . 0.0 109.704 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.49 -39.97 89.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 110.267 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' CD ' ' HG ' ' A' ' 39' ' ' SER . 13.8 tm-20 -60.0 -42.38 94.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.234 -0.916 . . . . 0.0 110.2 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.88 -47.5 92.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 108.938 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.83 -45.52 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.076 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 110.299 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.447 ' HG ' ' CD ' ' A' ' 35' ' ' GLU . 46.0 m -96.06 -20.98 18.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.919 -1.113 . . . . 0.0 110.246 -179.076 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.37 139.92 56.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.932 -1.105 . . . . 0.0 108.739 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.77 -39.92 66.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.245 -0.909 . . . . 0.0 111.053 -178.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -70.06 -40.02 75.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.919 -1.113 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.4 7.29 17.19 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.758 -1.214 . . . . 0.0 109.378 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -75.17 -67.64 0.63 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.342 -0.849 . . . . 0.0 109.898 -179.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.81 132.19 33.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.95 -11.4 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 109.125 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.07 -172.92 35.87 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -85.08 118.88 24.9 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -1.173 . . . . 0.0 108.913 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.03 94.53 5.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.271 -0.893 . . . . 0.0 110.217 -179.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.3 ptm -82.53 -102.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.031 -1.043 . . . . 0.0 109.138 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -149.68 156.42 41.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.303 -0.873 . . . . 0.0 109.045 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.92 135.95 2.13 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -159.25 122.44 3.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -1.231 . . . . 0.0 109.969 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.63 128.37 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.419 -0.801 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.358 179.915 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.548 0.689 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.82 142.81 33.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.628 -0.67 . . . . 0.0 110.243 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' B' ' 5' ' ' ILE . 98.4 m-20 -59.97 -38.44 82.54 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.114 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -13.24 0.33 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.496 ' H ' ' C ' ' B' ' 3' ' ' ASP . 50.9 mt -60.79 -40.27 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -1.141 . . . . 0.0 108.54 178.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -40.06 88.22 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.62 -39.1 92.73 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.1 76.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.408 -0.807 . . . . 0.0 109.573 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -40.5 89.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.046 -1.034 . . . . 0.0 108.926 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.0 -40.11 94.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.375 -0.828 . . . . 0.0 110.013 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.69 5.93 50.02 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.253 -0.904 . . . . 0.0 110.609 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.13 -44.23 42.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -36.19 82.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -178.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.97 -14.87 46.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.972 -1.08 . . . . 0.0 109.531 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 58.73 -131.98 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.845 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -86.85 -0.63 56.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 110.058 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.0 78.53 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 109.421 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . 0.515 ' CZ2' ' NE ' ' B' ' 20' ' ' ARG . 64.4 p-90 -71.42 -20.79 62.07 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.323 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NE ' ' CZ2' ' B' ' 19' ' ' TRP . 28.5 mmt180 -61.44 -40.17 93.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.925 . . . . 0.0 109.561 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.01 94.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -60.06 -49.93 75.71 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.401 -0.812 . . . . 0.0 109.24 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.55 -39.97 85.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.112 -0.992 . . . . 0.0 108.697 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 30.9 t -66.86 -37.36 84.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.726 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -70.0 -46.56 64.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 110.018 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.65 -0.9 51.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.372 -0.83 . . . . 0.0 109.887 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.5 m120 52.11 49.44 20.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.168 -0.958 . . . . 0.0 110.486 179.167 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -118.07 151.73 49.44 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.32 -0.862 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.43 159.54 10.49 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.631 1.554 . . . . 0.0 110.63 177.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.66 -19.96 40.12 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.331 2.021 . . . . 0.0 112.137 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -50.1 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.97 -179.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.41 -44.53 71.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.739 -1.226 . . . . 0.0 110.567 -178.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.65 71.6 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.797 -1.189 . . . . 0.0 109.681 -179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.34 -39.95 88.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 0.0 110.271 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.43 ' CD ' ' HG ' ' B' ' 39' ' ' SER . 13.7 tm-20 -60.01 -42.45 94.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.231 -0.918 . . . . 0.0 110.053 -179.02 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -61.8 -47.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.179 -0.951 . . . . 0.0 108.985 -179.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.95 -45.4 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.181 -0.949 . . . . 0.0 109.009 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.4 68.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.624 -0.673 . . . . 0.0 110.249 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.43 ' HG ' ' CD ' ' B' ' 35' ' ' GLU . 45.8 m -96.12 -20.96 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.988 -1.07 . . . . 0.0 110.28 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.31 139.89 56.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.889 -1.132 . . . . 0.0 108.763 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.66 -40.04 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.189 -0.944 . . . . 0.0 111.071 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.959 -1.088 . . . . 0.0 110.908 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -83.43 6.96 18.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 109.293 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -74.98 -67.17 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.164 -0.96 . . . . 0.0 109.938 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -87.08 132.17 33.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 109.363 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -80.08 -11.35 59.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.96 -1.088 . . . . 0.0 109.091 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.95 -173.11 35.81 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -85.03 119.15 25.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -1.185 . . . . 0.0 108.837 179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.16 94.62 5.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.927 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ptm -82.73 -101.39 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.989 -1.069 . . . . 0.0 109.259 179.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -149.97 156.5 41.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.22 -0.925 . . . . 0.0 108.951 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.91 135.9 2.13 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -159.2 122.65 3.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.267 . . . . 0.0 109.876 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.78 128.45 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.376 -0.827 . . . . 0.0 109.233 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.436 179.911 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.35 143.12 30.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.415 -0.803 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.12 -39.96 88.1 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.007 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.59 -10.88 0.42 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' H ' ' C ' ' A' ' 3' ' ' ASP . 51.4 mt -60.16 -38.61 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -1.153 . . . . 0.0 108.805 178.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.5 -38.91 85.85 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.45 76.81 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.472 -0.768 . . . . 0.0 110.233 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.93 -42.99 95.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.942 -1.099 . . . . 0.0 109.13 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.89 -38.73 89.43 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.502 -0.749 . . . . 0.0 109.914 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.55 5.74 50.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 110.726 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.31 -42.4 41.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 109.079 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.85 -36.93 80.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.395 -0.816 . . . . 0.0 110.024 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.882 . . . . 0.0 110.1 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -87.96 -12.35 44.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.912 -1.117 . . . . 0.0 108.656 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.49 -137.33 0.86 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.407 0.622 . . . . 0.0 110.442 179.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.3 p -81.3 -8.61 59.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.398 -0.814 . . . . 0.0 110.123 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.67 76.3 6.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 109.527 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -70.25 -23.31 62.88 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.243 -0.911 . . . . 0.0 109.334 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.38 -41.29 93.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.049 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.34 89.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.024 -1.047 . . . . 0.0 108.481 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.5 ttp -62.94 -45.32 93.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.418 -0.801 . . . . 0.0 109.303 179.258 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.44 -39.97 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.997 -1.064 . . . . 0.0 109.124 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 t -68.34 -35.73 78.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -0.763 . . . . 0.0 109.692 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -69.4 -42.95 74.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.325 -0.86 . . . . 0.0 109.706 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.61 -0.4 54.5 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.513 -0.742 . . . . 0.0 109.461 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.0 m120 52.39 49.94 19.4 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.247 -0.908 . . . . 0.0 110.495 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 mt -120.93 151.47 54.95 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.45 161.26 46.65 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.338 2.025 . . . . 0.0 111.89 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.0 -24.52 25.06 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.857 2.371 . . . . 0.0 112.45 -179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.99 -50.03 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.969 -1.082 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.0 -43.6 51.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.054 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.51 69.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.895 . . . . 0.0 109.716 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.01 -40.08 88.02 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.695 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.94 -40.09 91.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.66 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.21 -42.82 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 108.175 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.21 -39.69 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.345 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.7 -21.62 60.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.793 -0.567 . . . . 0.0 110.609 -179.666 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -95.13 -27.44 15.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.978 -1.076 . . . . 0.0 110.15 -178.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -60.1 139.9 57.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.97 -1.081 . . . . 0.0 108.586 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.49 -33.78 54.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.009 -1.057 . . . . 0.0 110.105 -179.304 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.52 -40.0 70.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 0.0 110.929 -178.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.4 m -81.26 -9.68 59.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.907 -1.121 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.7 tp-100 -68.96 -59.99 2.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.958 -1.089 . . . . 0.0 109.31 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.64 163.45 14.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.129 -0.982 . . . . 0.0 108.868 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.82 -9.88 59.71 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.213 -0.929 . . . . 0.0 108.942 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.34 -34.82 3.86 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 50' ' ' MET . 68.0 mm-40 -79.88 -40.0 29.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -1.134 . . . . 0.0 109.517 179.74 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.76 -83.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.036 0.446 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.617 ' N ' ' O ' ' A' ' 48' ' ' GLU . 45.6 ttm -75.55 126.41 30.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.113 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -158.11 151.74 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 0.0 108.721 179.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.7 68.96 0.25 Allowed Glycine 0 N--CA 1.495 2.585 0 C-N-CA 119.468 -1.348 . . . . 0.0 110.427 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -161.28 -57.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -1.157 . . . . 0.0 109.484 179.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.8 p -96.03 -18.73 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.913 -1.042 . . . . 0.0 109.518 179.804 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -100.74 142.79 31.73 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.12 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' B' ' 5' ' ' ILE . 97.8 m-20 -60.02 -39.86 87.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.151 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 -11.29 0.41 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' B' ' 3' ' ' ASP . 51.3 mt -59.99 -38.63 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -1.133 . . . . 0.0 108.736 179.106 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.013 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -60.66 -38.67 85.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.55 77.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.504 -0.748 . . . . 0.0 110.25 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.98 -43.11 95.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.915 -1.116 . . . . 0.0 109.026 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.78 -38.36 87.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.99 6.36 48.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.281 -0.887 . . . . 0.0 110.765 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -49.69 -42.35 45.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.819 -1.176 . . . . 0.0 109.132 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.0 -36.81 80.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.922 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 0.0 110.158 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.88 -12.48 44.68 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 108.715 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.66 -137.31 0.85 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.684 -0.635 . . . . 0.0 110.377 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.4 p -81.48 -8.47 59.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.75 76.14 6.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.607 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -70.24 -22.96 62.84 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.61 -41.05 93.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.881 . . . . 0.0 109.957 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.19 88.41 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.431 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.15 -45.27 92.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.387 -0.821 . . . . 0.0 109.194 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.28 -40.17 77.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.04 -1.038 . . . . 0.0 109.196 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.32 -35.54 77.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.798 . . . . 0.0 109.645 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -69.39 -43.05 74.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.74 -0.15 54.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.566 -0.709 . . . . 0.0 109.532 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.9 m120 52.14 50.01 19.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.924 . . . . 0.0 110.401 179.212 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -120.97 151.28 54.79 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.22 160.97 47.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.397 2.064 . . . . 0.0 111.91 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.88 -24.47 24.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.802 2.335 . . . . 0.0 112.499 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.93 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.921 -1.112 . . . . 0.0 109.428 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.1 -43.79 50.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.49 69.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.237 -0.914 . . . . 0.0 109.694 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.93 -40.02 87.47 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.793 179.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.13 -40.03 92.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 109.661 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.87 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.127 . . . . 0.0 108.129 179.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.49 -39.45 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -21.44 61.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.796 -0.565 . . . . 0.0 110.574 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -95.35 -27.46 15.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.865 -1.147 . . . . 0.0 110.165 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -60.03 139.79 57.23 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.991 -1.068 . . . . 0.0 108.54 179.387 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -77.44 -33.76 54.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 0.0 110.178 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.48 -40.1 70.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.0 m -81.1 -9.46 59.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.932 -1.105 . . . . 0.0 110.555 -179.33 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.14 -60.16 2.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.831 -1.168 . . . . 0.0 109.397 -179.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.45 163.14 14.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 108.862 178.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -79.32 -10.02 59.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.238 -0.914 . . . . 0.0 109.055 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.15 -34.39 3.97 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' B' ' 50' ' ' MET . 67.8 mm-40 -80.37 -39.98 27.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.434 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.75 -84.18 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 122.045 -0.409 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.616 ' N ' ' O ' ' B' ' 48' ' ' GLU . 45.7 ttm -75.12 126.9 31.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.079 -1.013 . . . . 0.0 110.086 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -158.53 151.46 22.43 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.73 68.91 0.25 Allowed Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.452 -1.356 . . . . 0.0 110.33 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -161.09 -57.17 0.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.268 -1.137 . . . . 0.0 109.425 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 12.8 p -96.08 -18.21 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.065 -1.022 . . . . 0.0 109.383 179.841 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.18 138.25 36.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.772 . . . . 0.0 111.054 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 5' ' ' ILE . 85.1 m-20 -59.92 -39.05 84.13 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.64 -11.73 0.17 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' H ' ' C ' ' A' ' 3' ' ' ASP . 47.4 mt -60.0 -32.28 49.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.426 -1.043 . . . . 0.0 108.343 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.84 -39.36 84.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.87 -39.7 95.24 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -38.71 82.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -42.14 93.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.916 -1.115 . . . . 0.0 109.208 -179.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.39 -40.03 89.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.407 -0.808 . . . . 0.0 110.13 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.24 0.86 57.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.885 . . . . 0.0 110.106 -178.62 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -49.67 -43.32 47.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 109.144 179.564 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.49 -40.06 89.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.427 -0.796 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 53.8 tptt -61.11 -39.91 91.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.888 . . . . 0.0 109.842 -179.103 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -87.31 -13.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.867 -1.146 . . . . 0.0 109.029 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 26.8 m80 58.99 -138.5 0.77 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.503 -0.748 . . . . 0.0 110.298 179.197 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -82.12 -3.79 55.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 110.395 -179.171 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.09 76.97 5.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.799 -1.188 . . . . 0.0 109.217 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.69 -26.08 63.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.382 -0.824 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.12 -41.23 92.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -0.854 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.65 80.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.311 -0.868 . . . . 0.0 109.262 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.9 ttp -61.68 -41.51 97.65 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 0.0 109.601 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.07 82.58 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.076 . . . . 0.0 109.424 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.0 m -65.17 -40.1 93.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.404 -0.81 . . . . 0.0 110.282 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.09 -39.91 75.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.068 -1.02 . . . . 0.0 110.918 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -94.46 -0.55 54.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 m120 51.6 50.04 19.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.444 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.13 151.71 45.96 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.496 -0.752 . . . . 0.0 109.342 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.3 Cg_endo -73.34 149.04 44.46 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.82 1.68 . . . . 0.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.96 -22.91 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.114 1.876 . . . . 0.0 112.61 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.26 -54.87 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.077 -1.015 . . . . 0.0 110.188 -179.322 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.86 -41.16 61.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.025 -1.047 . . . . 0.0 110.058 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.69 68.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.095 -1.003 . . . . 0.0 109.467 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -60.26 -39.85 88.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.147 -0.97 . . . . 0.0 109.261 178.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.13 -39.99 94.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 0.0 110.346 -179.282 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 36' ' ' ILE . 89.8 mt -60.43 -40.02 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.62 -40.12 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' C ' HE22 ' A' ' 44' ' ' GLN . . . -60.51 -16.69 39.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.839 -0.538 . . . . 0.0 110.27 -179.826 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -95.7 -38.26 10.43 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.012 -1.055 . . . . 0.0 109.974 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.55 135.37 57.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.083 -1.011 . . . . 0.0 109.02 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -78.17 -36.02 48.07 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.15 -0.969 . . . . 0.0 110.886 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -70.11 -40.13 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.151 -0.968 . . . . 0.0 110.891 -178.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.99 -8.44 59.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.905 -1.122 . . . . 0.0 109.924 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.8 tp-100 -69.16 -59.86 2.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.643 -179.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.02 153.17 22.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.474 -0.766 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -77.82 -8.48 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.219 -0.926 . . . . 0.0 108.799 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.92 -29.41 9.33 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.315 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 50' ' ' MET . 20.6 pt-20 -84.03 -0.59 52.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.984 -1.303 . . . . 0.0 109.12 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.01 -89.91 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 121.204 0.526 . . . . 0.0 110.367 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tpt -82.06 -76.0 0.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.503 -0.748 . . . . 0.0 109.11 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -156.64 42.37 0.36 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 0.0 110.225 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.31 -154.92 52.9 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.34 129.32 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.139 -1.212 . . . . 0.0 109.3 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 m -99.65 136.92 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.353 -0.842 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.392 -179.762 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.5 mt -99.16 138.16 36.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.53 -0.731 . . . . 0.0 110.976 -178.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.542 ' C ' ' H ' ' B' ' 5' ' ' ILE . 85.1 m-20 -60.11 -38.78 84.0 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.533 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.88 -11.63 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.191 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' B' ' 3' ' ' ASP . 47.9 mt -60.02 -32.08 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.34 -1.094 . . . . 0.0 108.361 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.95 -39.2 84.75 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.91 -39.89 95.92 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.81 81.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.407 -0.808 . . . . 0.0 110.265 -179.414 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.04 -42.2 93.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.034 -1.041 . . . . 0.0 109.192 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.47 -40.01 89.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -0.765 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.14 0.81 56.98 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.21 -0.931 . . . . 0.0 110.185 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -49.62 -43.32 46.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 109.168 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -60.53 -40.07 90.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.556 -0.715 . . . . 0.0 109.554 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 53.8 tptt -60.75 -40.18 91.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.377 -0.827 . . . . 0.0 109.771 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -87.21 -13.57 43.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.897 -1.127 . . . . 0.0 109.005 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 27.0 m80 59.24 -138.2 0.76 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.561 -0.712 . . . . 0.0 110.437 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 t -82.43 -3.81 56.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.281 -179.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.0 77.05 5.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.915 -1.116 . . . . 0.0 109.203 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.75 -26.44 63.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.417 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -41.08 91.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -45.89 79.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.211 -0.93 . . . . 0.0 109.121 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -61.57 -41.59 97.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.372 -0.83 . . . . 0.0 109.606 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.032 -1.043 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -65.2 -40.01 93.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.343 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.0 -40.25 75.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.736 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.37 -0.23 55.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.003 -1.061 . . . . 0.0 109.443 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m120 51.33 50.2 19.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 0.0 110.385 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -115.09 151.67 45.88 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.485 -0.759 . . . . 0.0 109.312 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 60.1 Cg_endo -73.33 149.03 44.48 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.88 1.72 . . . . 0.0 110.966 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.98 -22.64 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.96 1.773 . . . . 0.0 112.612 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -59.7 -54.89 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.943 -1.098 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.72 -40.84 61.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.84 -1.163 . . . . 0.0 110.002 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.78 68.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.086 -1.009 . . . . 0.0 109.433 -179.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 109.408 178.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -61.96 -39.96 93.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.92 . . . . 0.0 110.341 -179.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.36 -40.16 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.64 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -16.6 38.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.78 -0.575 . . . . 0.0 110.323 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -95.75 -38.36 10.37 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.013 -1.055 . . . . 0.0 109.885 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -60.47 135.31 57.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.102 -0.999 . . . . 0.0 109.21 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.23 -35.85 47.84 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.18 -0.95 . . . . 0.0 110.837 -179.234 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.26 -40.1 74.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.16 -0.963 . . . . 0.0 110.891 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -81.91 -8.46 59.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.865 -1.147 . . . . 0.0 109.927 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.528 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 63.4 tp60 -69.14 -59.45 3.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -1.0 . . . . 0.0 109.699 -179.355 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.23 153.22 22.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.37 -0.831 . . . . 0.0 109.46 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -78.02 -8.08 57.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 108.792 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.52 -29.44 9.03 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.343 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 50' ' ' MET . 20.7 pt-20 -84.05 -0.61 52.45 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.354 . . . . 0.0 109.153 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 37.99 -90.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.306 0.574 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.554 ' N ' ' O ' ' B' ' 48' ' ' GLU . 1.3 tpt -81.83 -76.01 0.27 Allowed 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.368 -0.833 . . . . 0.0 109.346 179.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -156.7 42.45 0.36 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.369 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.17 -154.92 52.85 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.21 129.63 34.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.372 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.77 136.79 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.338 -0.851 . . . . 0.0 109.31 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.501 -179.743 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.6 141.58 35.18 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.688 0.756 . . . . 0.0 111.297 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 5' ' ' ILE . 98.5 m-20 -60.09 -39.98 88.02 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.703 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.28 -13.17 0.22 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' ' 3' ' ' ASP . 45.1 mt -60.01 -35.54 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.36 -1.082 . . . . 0.0 108.403 178.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.93 -38.06 81.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.86 -40.11 94.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.289 -0.882 . . . . 0.0 108.985 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.47 78.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.427 -0.796 . . . . 0.0 109.757 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.03 -40.83 90.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.965 . . . . 0.0 109.575 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.96 89.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.987 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -98.22 9.81 42.08 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.21 -0.931 . . . . 0.0 110.439 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.56 -42.29 33.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.795 -1.191 . . . . 0.0 109.695 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 77.9 mm-40 -60.92 -35.49 76.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 0.0 109.731 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -60.09 -37.52 80.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.165 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.55 31.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.86 -1.15 . . . . 0.0 109.687 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 75.8 m-70 58.06 -134.07 1.1 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.345 -0.847 . . . . 0.0 110.012 179.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -82.4 -7.1 59.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.334 -0.854 . . . . 0.0 110.053 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 109.323 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -69.95 -25.1 63.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 0.0 109.473 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.19 89.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.268 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.87 89.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 109.017 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.9 ttp -60.61 -44.01 96.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.658 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.97 -40.58 89.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 109.448 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -66.65 -37.82 85.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.82 -42.84 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.52 -179.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -94.77 -2.49 50.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.49 -0.757 . . . . 0.0 109.307 179.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.6 m120 52.55 49.98 19.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.843 . . . . 0.0 110.636 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.06 152.49 50.44 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.501 -0.75 . . . . 0.0 109.196 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.85 160.98 47.68 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.316 2.01 . . . . 0.0 111.5 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.29 -21.5 29.26 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.476 2.117 . . . . 0.0 111.768 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 109.63 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.8 t -75.15 -44.27 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 110.271 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.98 83.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.46 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.98 -39.89 87.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.021 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.04 -40.02 96.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.45 -0.781 . . . . 0.0 110.199 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.12 -41.53 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.945 -1.097 . . . . 0.0 108.061 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.37 -40.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 177.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.61 51.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.615 -0.678 . . . . 0.0 109.511 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -87.02 -48.14 8.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.18 -0.95 . . . . 0.0 108.943 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.1 129.17 40.84 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.3 -30.5 48.4 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.13 -43.26 64.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.127 -0.983 . . . . 0.0 110.999 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.46 -22.62 43.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.731 -1.231 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.95 -49.48 61.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.847 -1.158 . . . . 0.0 110.041 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -85.92 143.68 28.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.159 -0.963 . . . . 0.0 109.043 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.11 104.48 14.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.068 -1.02 . . . . 0.0 110.047 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.98 -121.45 3.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -80.36 -165.26 0.83 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.412 -1.052 . . . . 0.0 108.997 179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.85 57.45 0.31 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.077 -1.014 . . . . 0.0 110.052 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 99.59 1.38 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 178.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.407 ' C ' ' H ' ' A' ' 53' ' ' GLN . 76.9 m80 -86.54 146.95 26.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.326 -0.859 . . . . 0.0 110.311 -179.223 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.34 11.24 18.15 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 51' ' ' HIS . 27.3 mt-30 -148.22 135.5 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.409 -1.054 . . . . 0.0 109.087 -179.862 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 12.1 p -94.28 123.38 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.237 -0.914 . . . . 0.0 109.439 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 82.3 m-20 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.128 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.66 141.57 35.26 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.79 0.805 . . . . 0.0 111.247 -178.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' B' ' 5' ' ' ILE . 98.5 m-20 -60.07 -40.01 87.99 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.694 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.37 -13.2 0.23 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.504 ' H ' ' C ' ' B' ' 3' ' ' ASP . 45.0 mt -59.92 -35.6 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.363 -1.08 . . . . 0.0 108.307 178.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.84 -38.11 81.13 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.81 -40.14 94.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 0.0 109.013 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.36 78.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.01 -41.12 91.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.24 -39.93 88.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -98.33 9.83 42.13 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.295 -0.878 . . . . 0.0 110.433 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.52 -42.16 32.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.779 -1.2 . . . . 0.0 109.728 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 77.8 mm-40 -61.12 -35.29 76.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.22 -37.52 80.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 0.0 110.219 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.5 31.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.896 -1.127 . . . . 0.0 109.62 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 75.7 m-70 58.11 -134.05 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.235 -0.915 . . . . 0.0 109.97 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 t -82.37 -7.12 59.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.019 -1.051 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.02 -25.04 63.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -40.05 89.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 110.271 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.79 89.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 109.058 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.1 ttp -60.65 -44.02 96.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.429 -0.794 . . . . 0.0 109.674 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -40.54 89.54 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.097 -1.002 . . . . 0.0 109.358 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -66.72 -37.79 85.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.865 . . . . 0.0 110.185 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.84 -42.81 76.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 109.508 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -94.81 -2.6 50.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.309 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.5 m120 52.62 50.03 19.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.55 179.214 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.96 152.53 50.34 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.451 -0.781 . . . . 0.0 109.205 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.94 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 122.377 2.051 . . . . 0.0 111.439 179.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.13 -21.67 28.71 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.464 2.11 . . . . 0.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.76 -50.02 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 109.541 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.23 -44.42 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 0.0 110.287 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.75 84.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.019 . . . . 0.0 109.561 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.11 -39.95 87.97 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.154 -0.966 . . . . 0.0 108.957 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.05 -39.98 96.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.1 -41.64 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 108.017 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.36 -40.04 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.46 -19.76 50.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 0.0 109.592 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -87.08 -48.19 8.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -0.926 . . . . 0.0 108.993 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.06 129.0 40.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.2 -30.44 48.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.048 -1.032 . . . . 0.0 110.064 -179.157 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -72.28 -43.19 64.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 111.053 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -79.4 -22.62 44.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.832 -1.168 . . . . 0.0 110.645 -179.261 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -68.15 -49.26 62.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.863 -1.148 . . . . 0.0 110.089 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.86 143.69 28.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.12 104.58 14.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.116 -0.99 . . . . 0.0 110.059 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.98 -121.64 3.84 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -80.34 -165.12 0.8 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.41 -1.053 . . . . 0.0 109.016 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.87 57.07 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.57 98.92 1.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.404 ' C ' ' H ' ' B' ' 53' ' ' GLN . 76.3 m80 -85.5 147.17 26.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.384 -0.822 . . . . 0.0 110.451 -179.411 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.63 11.23 20.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' B' ' 51' ' ' HIS . 27.2 mt-30 -148.3 135.59 20.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.354 -1.086 . . . . 0.0 109.11 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 12.0 p -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.305 -0.872 . . . . 0.0 109.426 -179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 82.6 m-20 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.037 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -101.8 144.94 29.84 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.422 0.629 . . . . 0.0 110.479 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.7 m-20 -60.1 -39.42 86.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.62 -15.0 0.13 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 60.4 mt -60.81 -41.71 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.273 -1.133 . . . . 0.0 109.107 179.259 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -62.4 -39.99 95.05 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 60.9 tttp -63.96 -38.03 89.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.94 73.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 110.299 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.002 -1.061 . . . . 0.0 110.455 -178.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 52.9 mp0 -99.8 11.73 38.5 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.006 -1.059 . . . . 0.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.7 -40.33 27.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.885 -1.134 . . . . 0.0 109.7 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.13 -39.85 87.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 109.908 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.5 -35.27 77.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.896 . . . . 0.0 110.119 -178.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.407 ' OH ' ' OD2' ' A' ' 25' ' ' ASP . 96.3 m-85 -86.75 -16.07 37.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.185 179.732 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 58.38 -138.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.292 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -82.47 -6.61 59.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 80.48 4.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.039 -1.038 . . . . 0.0 109.743 -179.467 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.79 63.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.395 -0.816 . . . . 0.0 109.004 179.31 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.17 -39.93 88.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.395 -0.815 . . . . 0.0 109.354 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.12 -46.62 89.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.356 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.89 . . . . 0.0 109.746 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 40.5 t -67.06 -35.06 79.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.309 -0.869 . . . . 0.0 109.81 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD2' ' OH ' ' A' ' 15' ' ' TYR . 54.1 t0 -69.97 -44.77 68.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.925 . . . . 0.0 109.741 -179.353 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.28 -0.08 50.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.74 . . . . 0.0 109.82 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.0 m120 53.06 45.28 29.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 110.532 179.154 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.23 150.92 44.48 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.6 Cg_endo -70.79 152.72 64.22 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.923 1.749 . . . . 0.0 111.594 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -40.64 -19.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.354 2.036 . . . . 0.0 112.75 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.1 t -59.93 -50.11 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.091 -1.005 . . . . 0.0 110.623 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.01 -43.46 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 110.94 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.2 82.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.866 -1.146 . . . . 0.0 109.217 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -59.95 -40.1 87.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.172 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.42 -40.43 94.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.386 -0.821 . . . . 0.0 110.18 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 36' ' ' ILE . 96.5 mt -62.87 -40.49 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.971 -1.081 . . . . 0.0 108.734 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.52 -40.04 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.168 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.12 -16.4 7.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.694 -0.629 . . . . 0.0 109.568 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -93.88 -46.82 7.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.082 -1.011 . . . . 0.0 108.901 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.87 126.18 26.61 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.695 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.99 -22.01 46.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 0.0 109.743 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -76.91 -47.04 22.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 0.0 110.329 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.2 m -79.04 -29.98 43.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.247 -179.451 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -70.57 -59.85 2.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.014 -1.054 . . . . 0.0 110.461 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.13 125.3 33.39 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.238 -0.913 . . . . 0.0 109.657 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -81.95 -9.37 59.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -0.879 . . . . 0.0 109.234 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.47 47.92 5.23 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -89.81 92.69 9.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.226 -1.161 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -77.55 -169.11 1.34 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.1 -1.0 . . . . 0.0 109.916 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' ALA . 53.9 ttp 55.9 159.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.52 0.676 . . . . 0.0 109.803 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -84.82 143.52 29.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.107 -0.995 . . . . 0.0 109.347 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -80.75 0.78 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -148.38 33.78 0.8 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -1.054 . . . . 0.0 108.389 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -95.42 -21.81 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.393 -0.817 . . . . 0.0 109.986 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.018 -1.051 . . . . 0.0 109.406 179.767 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.89 144.98 29.86 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.482 0.658 . . . . 0.0 110.524 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.9 m-20 -59.86 -39.94 86.93 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.22 -15.03 0.11 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' ASP . 59.6 mt -60.93 -41.71 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.315 -1.109 . . . . 0.0 109.021 179.241 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.31 -40.06 95.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 108.534 178.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 60.9 tttp -63.8 -38.1 89.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.643 -0.66 . . . . 0.0 109.505 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.91 73.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.06 -39.98 87.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.0 110.189 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.977 -1.077 . . . . 0.0 110.52 -178.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 53.0 mp0 -99.83 11.88 38.14 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.041 -1.037 . . . . 0.0 111.042 -179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -48.9 -40.35 29.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.859 -1.151 . . . . 0.0 109.765 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -39.79 87.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.998 -179.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -35.22 77.39 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.176 -0.953 . . . . 0.0 109.997 -178.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.418 ' OH ' ' OD2' ' B' ' 25' ' ' ASP . 96.1 m-85 -86.62 -15.98 38.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.794 -1.191 . . . . 0.0 109.236 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 58.29 -138.22 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.47 -0.769 . . . . 0.0 110.349 179.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.0 p -82.65 -6.68 59.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.686 . . . . 0.0 110.302 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 80.41 4.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.0 109.765 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.71 63.19 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.352 -0.842 . . . . 0.0 109.007 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.26 -40.15 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.256 -0.902 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.62 91.5 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.01 -46.69 88.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.866 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.92 -39.99 87.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 0.0 109.743 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 40.5 t -67.37 -34.97 78.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.418 ' OD2' ' OH ' ' B' ' 15' ' ' TYR . 54.3 t0 -70.0 -44.87 68.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.216 -0.928 . . . . 0.0 109.698 -179.409 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -96.29 0.08 50.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.482 -0.761 . . . . 0.0 109.904 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.1 m120 53.12 45.18 29.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -0.852 . . . . 0.0 110.528 179.032 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -114.03 150.91 44.32 Favored Pre-proline 0 N--CA 1.503 2.176 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.6 Cg_endo -70.82 152.88 64.19 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.859 1.706 . . . . 0.0 111.547 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.68 -20.18 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.336 2.024 . . . . 0.0 112.922 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.93 -49.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.048 -1.033 . . . . 0.0 110.414 -178.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.21 -43.46 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -178.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.04 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.892 -1.13 . . . . 0.0 109.252 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 109.163 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.56 -40.23 93.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.5 -0.75 . . . . 0.0 110.376 -179.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.428 HD11 HG22 ' B' ' 36' ' ' ILE . 96.6 mt -62.93 -40.22 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.066 -1.021 . . . . 0.0 108.635 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.7 -39.99 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.01 7.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.667 -0.646 . . . . 0.0 109.612 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -94.03 -46.93 6.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.022 -1.049 . . . . 0.0 108.895 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.71 126.15 26.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 108.811 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -78.97 -21.98 46.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.001 . . . . 0.0 109.678 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.89 -46.84 23.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 110.423 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -79.15 -30.06 43.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -0.95 . . . . 0.0 110.25 -179.544 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -70.41 -59.85 2.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.983 -1.073 . . . . 0.0 110.422 -179.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -86.1 125.35 33.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -81.93 -9.65 59.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.183 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.69 48.26 5.04 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -90.06 92.71 9.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.322 -1.105 . . . . 0.0 110.516 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -77.62 -169.28 1.42 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.279 -0.888 . . . . 0.0 109.853 179.417 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.469 ' O ' ' O ' ' B' ' 49' ' ' ALA . 53.7 ttp 55.82 159.46 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.826 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -84.06 143.77 29.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.391 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.71 -80.9 0.78 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.657 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -148.44 33.9 0.79 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.58 -21.67 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.446 -0.784 . . . . 0.0 109.831 -179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.066 -1.021 . . . . 0.0 109.509 179.773 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -100.04 140.63 33.99 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.767 0.794 . . . . 0.0 111.028 -178.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -60.05 -38.01 81.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.35 -13.01 0.21 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.027 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.4 mt -60.61 -39.72 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.372 -1.075 . . . . 0.0 108.999 178.885 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.096 -1.002 . . . . 0.0 108.501 179.36 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -61.56 -39.25 90.42 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.526 -0.734 . . . . 0.0 109.337 179.574 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 -38.38 74.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.153 -0.967 . . . . 0.0 109.586 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.0 -42.53 94.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.126 -0.983 . . . . 0.0 109.103 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.44 -39.95 95.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.528 -0.732 . . . . 0.0 110.073 -179.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -94.56 6.8 47.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.871 . . . . 0.0 110.237 -178.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -51.07 -34.3 29.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.092 -1.005 . . . . 0.0 109.396 179.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 81.2 mm-40 -60.07 -37.82 81.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 0.0 109.827 -179.193 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.07 -35.72 81.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.096 -1.002 . . . . 0.0 109.947 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.82 -20.02 28.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.925 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 30.1 m-70 59.37 -136.73 0.79 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 0.0 110.011 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -86.07 -2.9 58.75 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.272 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.48 82.31 6.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.802 -1.186 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -70.7 -19.16 62.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.053 -1.029 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 HH11 ' HG3' ' A' ' 20' ' ' ARG . 19.0 mmm-85 -60.74 -48.01 83.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.945 . . . . 0.0 109.523 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.65 99.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.182 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.33 89.92 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.93 -42.33 93.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.85 -1.157 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 m -64.85 -40.03 94.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 110.435 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -69.96 -40.18 75.58 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 110.513 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -92.62 -1.33 56.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.108 -0.995 . . . . 0.0 108.891 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.6 m120 50.97 49.47 21.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.417 -0.802 . . . . 0.0 110.234 179.418 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 mt -116.89 151.74 47.76 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.548 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.46 152.37 43.56 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.133 1.889 . . . . 0.0 111.748 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -41.0 -26.24 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.495 2.13 . . . . 0.0 113.297 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.89 -50.43 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.886 -1.134 . . . . 0.0 110.347 -178.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -74.3 -41.84 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.105 -0.997 . . . . 0.0 109.702 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.23 86.74 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.309 -0.869 . . . . 0.0 108.818 -179.737 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.369 -0.832 . . . . 0.0 108.975 178.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -64.22 -40.56 96.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.04 -42.77 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.885 -1.134 . . . . 0.0 108.215 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.7 t -65.16 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HA ' HE22 ' A' ' 44' ' ' GLN . . . -61.41 -27.37 68.49 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.643 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -88.08 -36.62 16.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 109.7 -178.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.17 129.65 42.95 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.98 -27.57 54.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.065 -1.022 . . . . 0.0 110.152 -179.136 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.01 -40.14 68.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.011 -1.056 . . . . 0.0 110.112 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -86.94 1.33 53.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 109.907 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.491 HE22 ' HA ' ' A' ' 38' ' ' ALA . 6.4 tp-100 -78.2 -70.04 0.51 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -0.999 . . . . 0.0 109.681 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -83.43 129.79 35.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 48' ' ' GLU . 58.9 mttp -79.27 159.86 27.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.0 109.28 179.469 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.16 2.88 0.58 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' A' ' 46' ' ' LYS . 99.0 mt-10 -82.63 147.54 28.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -1.232 . . . . 0.0 109.24 179.775 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.67 167.76 9.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.771 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ttt 66.06 21.42 11.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 109.937 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -85.71 106.39 16.94 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.894 -1.129 . . . . 0.0 109.38 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.88 86.33 0.14 Allowed Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.59 150.63 30.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.189 -1.183 . . . . 0.0 109.38 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.3 m -92.56 141.54 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 108.919 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.298 -179.825 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.06 140.6 34.06 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.81 0.814 . . . . 0.0 110.986 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 5' ' ' ILE . 90.7 m-20 -60.04 -37.98 81.39 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.33 -12.99 0.2 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.108 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.533 ' H ' ' C ' ' B' ' 3' ' ' ASP . 58.4 mt -60.68 -39.6 82.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -1.096 . . . . 0.0 108.96 178.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.07 -39.29 85.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.561 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -61.46 -39.08 89.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.396 179.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.23 74.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.592 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.05 -42.37 94.35 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.19 -0.944 . . . . 0.0 109.219 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.68 -39.94 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.009 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -94.65 6.89 47.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 -178.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -51.06 -34.46 30.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.339 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 81.2 mm-40 -59.98 -37.63 80.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.911 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.25 -35.51 80.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.887 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.96 -20.11 27.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.03 -1.043 . . . . 0.0 109.929 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 30.3 m-70 59.52 -136.68 0.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 110.065 179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -86.12 -2.85 58.72 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.0 110.505 -179.351 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.52 82.47 6.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.871 -1.143 . . . . 0.0 109.581 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -70.86 -19.15 62.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.079 -1.013 . . . . 0.0 109.118 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG3' ' B' ' 20' ' ' ARG . 19.0 mmm-85 -60.64 -48.09 83.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 109.502 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.64 99.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.32 -0.863 . . . . 0.0 109.236 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.59 88.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.182 -0.949 . . . . 0.0 109.751 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.65 -42.41 92.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.843 -1.161 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.3 m -64.79 -39.97 94.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.144 -0.973 . . . . 0.0 110.469 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -70.12 -39.96 75.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.995 -1.066 . . . . 0.0 110.535 -179.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -92.67 -1.31 56.96 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.028 -1.045 . . . . 0.0 108.908 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.7 m120 51.01 49.42 21.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.415 -0.803 . . . . 0.0 110.143 179.331 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.94 151.69 47.74 Favored Pre-proline 0 N--CA 1.502 2.144 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.38 152.51 44.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.028 1.819 . . . . 0.0 111.744 179.524 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -41.0 -26.34 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.524 2.149 . . . . 0.0 113.42 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -50.2 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.81 -1.181 . . . . 0.0 110.313 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.4 -41.88 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.09 -1.006 . . . . 0.0 109.759 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.39 86.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.268 -0.895 . . . . 0.0 108.824 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.894 . . . . 0.0 108.874 178.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.25 -40.53 96.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 110.474 -179.309 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.01 -42.66 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.995 -1.066 . . . . 0.0 108.29 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.22 -40.01 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.156 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.426 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -61.25 -27.21 68.29 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 -179.753 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -88.15 -36.86 16.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.977 -1.077 . . . . 0.0 109.45 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.11 129.84 43.82 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.158 -0.964 . . . . 0.0 108.475 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.16 -27.48 53.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 110.134 -179.094 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -72.08 -40.11 68.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.013 . . . . 0.0 110.107 -179.082 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -86.96 1.04 54.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 0.0 109.942 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -78.35 -69.97 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.713 -179.566 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -83.1 129.58 35.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.184 -0.947 . . . . 0.0 109.542 -179.882 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.546 ' C ' ' H ' ' B' ' 48' ' ' GLU . 58.9 mttp -79.23 159.69 27.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.296 179.465 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.07 3.12 0.5 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -179.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.546 ' H ' ' C ' ' B' ' 46' ' ' LYS . 98.9 mt-10 -82.97 147.45 28.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.071 -1.252 . . . . 0.0 109.304 179.722 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.51 167.9 9.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.123 -0.986 . . . . 0.0 109.943 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.6 ttt 66.0 21.22 11.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.618 -0.676 . . . . 0.0 109.909 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -85.33 106.39 16.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.769 -1.207 . . . . 0.0 109.576 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.88 86.52 0.15 Allowed Glycine 0 N--CA 1.495 2.613 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.61 150.5 31.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.083 -1.245 . . . . 0.0 109.36 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.3 m -92.5 141.56 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.302 -0.874 . . . . 0.0 108.852 179.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.285 -179.908 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.94 140.3 33.31 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.456 0.646 . . . . 0.0 110.707 -178.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 5' ' ' ILE . 8.4 t70 -59.98 -36.63 77.56 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.785 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.58 -13.29 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.489 ' H ' ' C ' ' A' ' 3' ' ' ASP . 59.0 mt -61.98 -41.08 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.467 -1.02 . . . . 0.0 109.174 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.1 -39.0 93.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.07 72.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -0.86 . . . . 0.0 109.598 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.03 -41.31 91.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.032 . . . . 0.0 108.783 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.12 -35.68 81.1 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.498 -0.751 . . . . 0.0 109.379 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.96 2.82 56.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 110.523 -178.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.57 -41.37 30.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.983 -1.073 . . . . 0.0 109.629 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mt-10 -59.98 -39.05 84.34 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.349 -0.844 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -60.07 -39.23 85.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.505 -0.747 . . . . 0.0 109.964 -178.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.32 -16.73 36.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.868 -1.145 . . . . 0.0 109.577 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 42.7 m-70 58.82 -133.56 1.0 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 179.029 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -82.84 -9.24 59.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 -179.34 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.42 79.66 7.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.969 -1.082 . . . . 0.0 110.083 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.18 -23.32 62.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -40.37 92.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.326 -0.859 . . . . 0.0 110.295 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.21 88.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.77 -40.45 97.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.872 . . . . 0.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -39.97 84.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 0.0 109.708 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m -67.26 -36.24 81.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.883 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.84 -43.46 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 109.387 -179.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -93.05 -1.96 56.07 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 109.818 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.1 m120 52.32 50.06 19.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 179.237 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.05 153.72 49.67 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.482 -0.761 . . . . 0.0 109.062 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' VAL . 62.2 Cg_endo -74.21 149.96 41.54 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.842 1.694 . . . . 0.0 110.885 178.843 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -40.69 -21.09 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.082 1.855 . . . . 0.0 112.553 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.09 -49.85 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.026 -1.046 . . . . 0.0 110.468 -178.899 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.78 -40.03 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.044 -1.035 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.23 74.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.99 -1.069 . . . . 0.0 109.086 -179.2 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.48 -39.94 89.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.07 -40.06 94.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.386 -0.821 . . . . 0.0 110.285 -179.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 36' ' ' ILE . 89.7 mt -60.34 -41.27 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.033 -1.042 . . . . 0.0 108.442 -179.73 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -39.94 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.136 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -26.83 65.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.733 -0.604 . . . . 0.0 110.378 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -94.87 -19.88 19.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.915 -1.115 . . . . 0.0 109.092 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 41' ' ' ASP . 14.6 t -60.58 155.02 19.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.306 -0.871 . . . . 0.0 108.909 179.002 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 90.8 m-20 -80.57 -69.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.188 -0.945 . . . . 0.0 111.506 -178.769 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -70.7 -37.18 73.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.63 -0.669 . . . . 0.0 112.14 -176.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.09 -24.82 61.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.518 -1.364 . . . . 0.0 111.623 -177.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.426 HE22 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.85 -41.2 75.21 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.364 -1.46 . . . . 0.0 109.77 -179.194 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 HE22 ' A' ' 44' ' ' GLN . 65.9 mt -88.13 146.12 25.58 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.049 -1.032 . . . . 0.0 109.394 178.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 48' ' ' GLU . 68.5 mttm -78.37 145.17 35.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 109.607 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.98 45.37 0.42 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.539 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 46' ' ' LYS . 84.3 tt0 -153.09 160.92 42.98 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.216 -1.167 . . . . 0.0 109.685 -179.336 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.21 -167.73 2.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 109.121 -179.763 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ttt 58.57 37.89 25.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 108.493 -179.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -152.09 160.87 43.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 0.0 109.096 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.76 8.9 79.07 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -78.16 150.28 33.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -1.151 . . . . 0.0 108.801 179.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.4 p -94.93 134.25 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.091 -1.006 . . . . 0.0 110.052 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.315 179.767 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.4 mt -98.92 140.11 33.57 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.413 0.625 . . . . 0.0 110.71 -178.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' B' ' 5' ' ' ILE . 8.3 t70 -59.89 -36.69 77.49 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 -13.3 0.46 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 178.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.484 ' N ' ' C ' ' B' ' 3' ' ' ASP . 58.6 mt -62.13 -40.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.448 -1.03 . . . . 0.0 109.167 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.08 -39.92 87.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 108.594 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.28 -38.86 92.56 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.249 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.09 72.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.329 -0.857 . . . . 0.0 109.492 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.9 -41.51 91.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.008 -1.057 . . . . 0.0 108.695 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.93 -35.64 80.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.501 -0.749 . . . . 0.0 109.462 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.0 2.81 56.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.357 -0.84 . . . . 0.0 110.562 -178.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -48.58 -41.18 29.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.902 -1.123 . . . . 0.0 109.63 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 93.0 mt-10 -60.12 -39.11 85.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.337 -0.852 . . . . 0.0 109.893 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -60.0 -39.49 85.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.806 . . . . 0.0 109.809 -178.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.06 -16.69 37.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.869 -1.145 . . . . 0.0 109.566 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 43.2 m-70 58.81 -133.76 0.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 110.385 178.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 t -82.76 -9.39 59.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 110.211 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.39 79.97 7.89 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.065 -1.022 . . . . 0.0 109.97 -179.606 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.27 -23.19 62.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 0.0 109.255 179.101 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.85 -40.38 92.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.343 -0.848 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.185 -0.947 . . . . 0.0 109.602 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.78 -40.23 96.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.33 -40.25 85.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 -179.863 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -66.94 -36.21 81.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.321 -0.862 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -69.82 -43.48 71.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.373 -179.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -93.12 -1.98 55.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.511 -0.743 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 52.33 50.02 19.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.499 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.11 153.6 49.73 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.499 -0.751 . . . . 0.0 109.026 179.582 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 61.8 Cg_endo -74.2 150.03 41.68 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.755 1.637 . . . . 0.0 110.91 178.918 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.61 -21.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.064 1.842 . . . . 0.0 112.507 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.6 t -60.05 -50.09 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.022 -1.049 . . . . 0.0 110.388 -178.839 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.69 -39.95 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.898 -1.126 . . . . 0.0 110.423 -179.029 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.2 74.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.059 . . . . 0.0 109.031 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.48 -39.94 89.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 109.709 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -62.01 -40.14 94.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 110.151 -179.219 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.26 -41.13 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.993 -1.067 . . . . 0.0 108.629 -179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.99 -39.89 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.181 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -27.15 66.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.756 -0.59 . . . . 0.0 110.216 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -94.55 -19.7 20.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.008 -1.057 . . . . 0.0 109.063 -179.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' B' ' 41' ' ' ASP . 14.8 t -60.67 154.92 20.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.263 -0.898 . . . . 0.0 108.933 178.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' B' ' 40' ' ' CYS . 91.8 m-20 -80.36 -69.65 0.58 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 111.449 -178.857 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -70.46 -37.18 74.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.551 -0.718 . . . . 0.0 112.217 -177.033 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.17 -25.02 61.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.583 -1.323 . . . . 0.0 111.642 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -69.6 -41.21 76.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.423 -1.423 . . . . 0.0 109.82 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.2 mt -88.04 145.98 25.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.972 -1.08 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' B' ' 48' ' ' GLU . 68.5 mttm -78.4 145.23 35.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 109.546 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.05 45.41 0.43 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' B' ' 46' ' ' LYS . 84.0 tt0 -153.14 160.94 42.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -1.175 . . . . 0.0 109.685 -179.359 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.23 -167.74 2.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.826 . . . . 0.0 109.113 -179.698 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.8 ttt 58.44 38.02 25.67 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -152.08 160.84 43.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.386 -0.821 . . . . 0.0 109.133 -179.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.76 8.82 79.2 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -78.03 150.18 33.88 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -1.202 . . . . 0.0 108.779 179.651 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.04 134.26 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.182 -0.949 . . . . 0.0 110.006 -179.122 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.399 179.831 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.608 0.718 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.7 145.96 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.732 0.777 . . . . 0.0 110.821 -179.392 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 47.0 t0 -60.04 -39.97 87.75 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.46 -16.52 0.58 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 179.553 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.01 -41.46 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.343 -1.092 . . . . 0.0 108.698 179.128 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.05 -38.89 92.29 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.619 -0.676 . . . . 0.0 109.585 -179.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.06 -41.91 93.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.122 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.61 -39.99 93.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -0.864 . . . . 0.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.57 3.51 55.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.241 -0.912 . . . . 0.0 110.655 -178.723 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.5 -42.29 43.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.796 -1.19 . . . . 0.0 109.397 -179.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -38.81 84.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.88 . . . . 0.0 109.959 179.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.3 -39.97 88.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.814 . . . . 0.0 110.565 -178.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.11 -14.83 45.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.95 -1.094 . . . . 0.0 109.835 -179.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 59.41 -134.09 0.89 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.44 -0.787 . . . . 0.0 110.523 179.437 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -84.31 -1.16 54.9 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.317 -0.864 . . . . 0.0 110.687 -178.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.45 6.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.868 -1.145 . . . . 0.0 109.883 -179.643 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.93 -27.73 65.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.97 -41.1 91.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.768 -179.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.88 82.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.952 . . . . 0.0 109.062 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.66 -42.96 99.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 109.474 179.577 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.0 85.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 0.0 109.248 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.33 -38.03 88.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.421 -0.8 . . . . 0.0 109.973 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.96 75.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.37 -0.03 53.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.15 -0.969 . . . . 0.0 109.397 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.62 48.5 22.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.368 -0.833 . . . . 0.0 110.066 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 mt -116.34 153.55 48.73 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.453 -0.779 . . . . 0.0 109.206 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 90.6 Cg_endo -76.21 149.92 32.5 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.047 1.832 . . . . 0.0 111.501 178.861 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -38.31 -22.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.435 2.09 . . . . 0.0 113.024 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -60.0 -52.47 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.767 -1.208 . . . . 0.0 110.338 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.5 -39.99 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.125 -0.984 . . . . 0.0 110.089 -179.417 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.3 78.3 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.165 -0.959 . . . . 0.0 108.985 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.68 -39.97 90.4 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 109.322 179.118 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.98 -40.84 96.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.495 -0.753 . . . . 0.0 110.662 -179.136 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.33 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.97 -1.081 . . . . 0.0 108.206 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.87 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.172 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.51 -20.37 59.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.832 -0.542 . . . . 0.0 110.535 -179.805 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 m -94.44 -38.31 11.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.906 -1.121 . . . . 0.0 109.581 -179.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.91 130.54 47.24 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.43 -31.31 48.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.993 . . . . 0.0 110.794 -179.039 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -70.82 -40.21 72.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.847 -1.158 . . . . 0.0 109.991 -179.143 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.0 m -86.42 6.09 31.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.097 -1.002 . . . . 0.0 109.791 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.9 tp-100 -78.28 -69.87 0.53 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.44 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.21 119.52 25.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 109.328 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -80.01 -69.98 0.55 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.004 . . . . 0.0 109.916 179.891 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.78 15.44 0.06 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -81.56 -9.78 59.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -1.176 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' MET . . . -70.41 -165.11 0.09 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.186 -0.947 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 2.7 tmm? 75.11 -69.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.613 -0.679 . . . . 0.0 109.392 -179.567 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -153.83 -46.91 0.09 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.857 . . . . 0.0 110.313 -179.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.81 -149.56 20.65 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.526 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -78.21 132.67 37.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.134 -1.215 . . . . 0.0 109.287 -179.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.11 142.61 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.367 -0.833 . . . . 0.0 109.108 179.608 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.466 -179.839 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.72 145.97 24.19 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.823 0.821 . . . . 0.0 110.876 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.449 ' C ' ' N ' ' B' ' 5' ' ' ILE . 47.4 t0 -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -16.4 0.57 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' B' ' 3' ' ' ASP . 79.8 mt -60.05 -41.52 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.274 -1.133 . . . . 0.0 108.689 179.16 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -65.17 -38.9 92.0 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.1 77.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.589 -0.695 . . . . 0.0 109.599 -179.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.11 -41.8 93.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.949 -1.094 . . . . 0.0 109.024 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.72 -39.98 93.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.358 -0.839 . . . . 0.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.46 3.4 55.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.232 -0.917 . . . . 0.0 110.775 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -42.45 40.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.753 -1.217 . . . . 0.0 109.436 -179.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.4 -0.813 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.24 -39.98 88.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 110.639 -178.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.06 -14.85 45.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.89 -1.131 . . . . 0.0 109.853 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 59.36 -134.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.324 -0.86 . . . . 0.0 110.438 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -84.08 -1.32 54.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.351 -0.843 . . . . 0.0 110.652 -178.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.52 6.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.859 -1.151 . . . . 0.0 109.972 -179.586 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -70.08 -27.7 64.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.397 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.96 -41.08 91.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 0.0 109.778 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.9 82.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.15 -0.969 . . . . 0.0 109.004 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.8 ttp -62.55 -42.95 99.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.88 85.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.11 -0.993 . . . . 0.0 109.278 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.46 -38.16 89.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.7 -40.03 76.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 110.481 -179.316 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.52 0.07 52.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.086 -1.009 . . . . 0.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.51 48.48 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.346 -0.846 . . . . 0.0 110.155 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -116.38 153.56 48.79 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.507 -0.746 . . . . 0.0 109.259 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 90.8 Cg_endo -76.21 149.97 32.56 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.039 1.826 . . . . 0.0 111.392 179.013 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.38 -22.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.426 2.084 . . . . 0.0 113.082 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.9 t -59.98 -52.6 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.912 -1.118 . . . . 0.0 110.186 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.37 -39.98 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.965 . . . . 0.0 110.164 -179.448 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.18 78.77 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.972 -1.08 . . . . 0.0 108.977 -179.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.74 -39.99 90.73 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 109.253 179.127 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.11 -40.86 97.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.649 -178.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.23 -40.05 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.028 -1.045 . . . . 0.0 108.251 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.84 -40.0 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.137 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.47 -20.68 60.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.792 -0.567 . . . . 0.0 110.613 -179.79 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.2 m -94.25 -38.31 11.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.924 -1.11 . . . . 0.0 109.662 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.9 130.46 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.105 -0.997 . . . . 0.0 108.422 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.4 -31.32 48.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.984 . . . . 0.0 110.797 -179.057 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.7 -40.44 72.85 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.955 -1.09 . . . . 0.0 110.026 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -86.21 5.99 31.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.154 -0.966 . . . . 0.0 109.809 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -78.12 -69.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 -179.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.12 119.56 25.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.262 -0.899 . . . . 0.0 109.366 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -79.94 -70.03 0.55 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.151 -0.968 . . . . 0.0 109.923 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.75 15.64 0.06 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.793 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -81.69 -9.65 59.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -1.145 . . . . 0.0 109.015 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' B' ' 50' ' ' MET . . . -70.52 -165.19 0.1 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 0.0 109.177 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 2.7 tmm? 75.23 -70.22 0.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.4 -179.621 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -153.56 -47.08 0.09 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 0.0 110.351 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.8 -149.51 20.59 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -78.14 132.65 37.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -1.221 . . . . 0.0 109.412 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.11 142.63 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.387 -0.821 . . . . 0.0 109.147 179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.433 -179.861 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.647 0.737 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.34 141.48 31.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.64 0.733 . . . . 0.0 110.729 -179.067 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.623 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.97 -15.28 0.16 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 63.6 mt -60.36 -40.6 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -1.129 . . . . 0.0 108.683 178.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.04 -35.84 82.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -37.25 76.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.89 -40.1 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.073 -1.017 . . . . 0.0 109.333 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.26 -40.02 88.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.57 1.91 56.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.029 -1.044 . . . . 0.0 110.927 -178.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.51 -41.09 29.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.798 -1.188 . . . . 0.0 108.922 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.8 mt-10 -60.99 -39.96 91.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.518 -0.739 . . . . 0.0 109.332 179.323 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.99 -40.06 92.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.321 -0.862 . . . . 0.0 109.609 -179.556 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.54 -18.12 32.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 68.5 m-70 57.61 -128.8 1.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.486 -0.759 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -85.37 -9.05 58.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.501 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -78.07 74.91 4.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 0.0 109.654 -179.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.05 -25.1 63.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.572 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.5 -40.19 90.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.952 . . . . 0.0 109.681 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.09 89.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.344 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 ttp -61.88 -40.72 96.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 0.0 109.438 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.86 -40.0 82.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.017 -1.052 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.52 -40.02 77.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.93 -1.55 54.52 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.109 -0.994 . . . . 0.0 108.909 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.5 m120 52.09 50.09 19.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -0.785 . . . . 0.0 110.139 179.174 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.58 153.07 51.97 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.563 -0.711 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.49 154.69 45.31 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.971 1.78 . . . . 0.0 111.316 179.286 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.68 -21.5 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.18 1.92 . . . . 0.0 112.954 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.71 -57.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 110.46 -178.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.79 -40.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 110.132 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.15 70.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.397 178.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.19 -40.53 90.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.022 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.93 -41.29 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 108.326 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.05 -40.04 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.031 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.12 -18.53 58.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.564 -0.71 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -95.07 -40.45 9.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.033 -1.042 . . . . 0.0 109.919 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.3 130.55 46.72 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.008 -1.057 . . . . 0.0 108.614 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -76.42 -32.79 58.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 110.505 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.3 -39.92 74.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.414 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.78 -4.98 59.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.986 -1.071 . . . . 0.0 110.258 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -69.71 -58.21 4.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.059 -1.026 . . . . 0.0 109.509 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -89.1 141.03 28.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.223 -0.923 . . . . 0.0 109.843 -179.784 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' C ' ' H ' ' A' ' 48' ' ' GLU . 62.9 mttp -79.91 159.97 26.17 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.23 0.85 0.31 Allowed Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.572 ' H ' ' C ' ' A' ' 46' ' ' LYS . 87.0 tt0 -89.41 -79.97 0.31 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.063 -1.257 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 56.07 6.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -0.935 . . . . 0.0 109.858 179.61 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mtm -151.79 107.56 3.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.277 -0.889 . . . . 0.0 109.024 179.77 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -83.56 152.23 24.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.515 -0.741 . . . . 0.0 109.928 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.54 146.77 21.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.3 121.65 26.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 0.0 108.806 179.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 m -94.85 -1.98 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.156 -0.965 . . . . 0.0 109.228 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.348 179.673 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.641 0.734 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.4 141.45 31.26 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.643 0.735 . . . . 0.0 110.709 -178.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -60.04 -39.86 87.36 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.683 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -15.39 0.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 178.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 63.6 mt -60.23 -40.63 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -1.143 . . . . 0.0 108.68 178.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.17 -35.7 81.9 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.362 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.1 76.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.516 -0.74 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.026 -1.046 . . . . 0.0 109.336 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.33 -39.99 89.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.168 -0.957 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.61 1.88 57.02 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.118 -0.989 . . . . 0.0 110.898 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.4 -41.1 28.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.826 -1.172 . . . . 0.0 108.904 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.411 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.9 mt-10 -60.95 -39.98 91.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.497 -0.752 . . . . 0.0 109.448 179.307 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.12 -40.01 92.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.557 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.45 -18.21 32.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 109.508 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 68.4 m-70 57.71 -128.75 1.6 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.453 -0.779 . . . . 0.0 110.188 179.309 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 p -85.42 -8.93 58.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.0 110.479 -179.294 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.14 74.81 4.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 109.699 -179.029 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.0 -25.12 63.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.636 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.62 -40.02 90.35 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 109.63 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.06 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.325 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.95 -40.79 96.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 109.39 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.76 -40.01 82.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.88 -1.138 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.5 m -64.33 -39.99 95.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 110.16 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.66 -39.95 76.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.211 -0.931 . . . . 0.0 110.501 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -93.75 -1.63 54.81 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.094 -1.004 . . . . 0.0 108.962 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.5 m120 52.3 49.93 19.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.475 -0.766 . . . . 0.0 110.068 179.061 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -118.56 153.1 51.94 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.526 -0.734 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.56 154.56 44.87 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.996 1.797 . . . . 0.0 111.215 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.51 -21.67 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.153 1.902 . . . . 0.0 112.982 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.57 -57.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.017 -1.052 . . . . 0.0 110.494 -178.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.82 -39.96 76.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.221 -0.925 . . . . 0.0 110.182 -179.075 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.02 71.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.046 -1.034 . . . . 0.0 109.418 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.037 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.32 -40.22 89.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.389 -0.819 . . . . 0.0 109.994 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.22 -41.17 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.049 -1.032 . . . . 0.0 108.363 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.15 -39.95 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.54 58.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.681 -0.637 . . . . 0.0 110.17 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.2 m -95.13 -40.27 9.69 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.052 -1.03 . . . . 0.0 109.932 -179.198 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.41 130.5 46.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 108.536 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -76.41 -32.79 58.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.221 -0.925 . . . . 0.0 110.474 -179.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.29 -40.1 74.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 110.378 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.76 -4.76 59.25 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.019 -1.051 . . . . 0.0 110.203 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 66.2 tp60 -69.73 -58.27 4.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 109.509 -179.456 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.13 140.86 29.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.205 -0.935 . . . . 0.0 109.787 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' B' ' 48' ' ' GLU . 62.9 mttp -79.75 160.0 26.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.622 178.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.32 0.79 0.33 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' B' ' 46' ' ' LYS . 87.2 tt0 -89.39 -80.06 0.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.272 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.46 55.57 7.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.969 . . . . 0.0 109.86 179.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mtm -151.08 107.13 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.306 -0.871 . . . . 0.0 109.177 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -82.75 152.11 25.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.44 146.72 21.47 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.32 121.46 26.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -1.076 . . . . 0.0 108.77 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -94.6 -2.08 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.154 -0.966 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.325 179.719 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.13 138.43 37.21 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 5' ' ' ILE . 96.9 m-20 -60.23 -36.88 78.73 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.342 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -12.13 0.19 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.53 ' H ' ' C ' ' A' ' 3' ' ' ASP . 34.1 mt -59.91 -35.8 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.638 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 57.8 t0 -59.97 -37.06 78.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.39 -0.818 . . . . 0.0 109.244 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.09 -36.69 84.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 109.372 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.42 72.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.264 -0.898 . . . . 0.0 109.764 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.09 -41.2 92.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.079 -1.013 . . . . 0.0 109.588 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -40.01 94.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.36 5.8 50.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.184 -0.948 . . . . 0.0 110.652 -178.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.2 t -49.31 -41.74 39.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.868 -1.145 . . . . 0.0 109.137 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.38 -39.63 91.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.639 -0.663 . . . . 0.0 109.718 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 87.8 tttt -60.48 -39.81 89.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.212 -0.93 . . . . 0.0 110.062 -179.056 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.8 -13.02 43.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.983 -1.073 . . . . 0.0 109.634 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 29.8 m80 58.96 -139.02 0.76 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.434 -0.792 . . . . 0.0 110.242 179.058 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -83.9 -2.32 56.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -0.924 . . . . 0.0 110.342 -179.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.07 82.55 6.12 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.004 -1.06 . . . . 0.0 109.542 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.12 -29.18 66.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.477 -0.764 . . . . 0.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -60.11 -40.34 89.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.898 -1.126 . . . . 0.0 110.4 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.39 89.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.877 -1.139 . . . . 0.0 108.613 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.01 -44.77 96.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.535 -0.728 . . . . 0.0 109.587 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.93 -40.22 75.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.375 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -64.79 -39.73 94.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.404 -0.81 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.88 -39.99 75.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.067 -1.021 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.19 -3.08 57.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.041 . . . . 0.0 109.004 179.518 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.6 m120 52.85 47.14 25.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.508 -0.745 . . . . 0.0 110.735 179.035 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 mt -117.48 151.34 48.07 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.444 -0.785 . . . . 0.0 108.975 179.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.37 153.98 55.91 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.862 1.708 . . . . 0.0 111.652 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.41 -24.14 0.22 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.656 2.237 . . . . 0.0 113.667 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.83 -53.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.99 -1.069 . . . . 0.0 110.112 -178.368 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.62 -40.88 62.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.375 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.33 70.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 0.0 109.56 -179.537 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.31 -39.98 88.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.94 -1.1 . . . . 0.0 109.328 178.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.2 -40.98 95.97 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.132 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.21 -40.17 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.744 -1.222 . . . . 0.0 107.908 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.07 -39.94 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.352 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.81 -19.74 30.74 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.667 -0.645 . . . . 0.0 109.787 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m -92.05 -44.51 8.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.073 -1.017 . . . . 0.0 108.719 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.61 123.95 18.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.64 -21.02 56.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.889 -1.132 . . . . 0.0 109.994 -179.473 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -78.52 -46.88 18.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.963 -1.086 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -79.05 -20.83 47.91 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.085 -1.01 . . . . 0.0 110.209 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.37 -69.09 0.56 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.895 -1.128 . . . . 0.0 108.971 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.19 152.31 29.23 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.351 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -76.91 -6.23 51.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.009 -1.057 . . . . 0.0 109.49 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.71 -140.39 7.51 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.24 145.07 30.23 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.137 -1.214 . . . . 0.0 109.142 179.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.6 -84.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -0.867 . . . . 0.0 109.096 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -78.86 151.94 31.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -84.44 143.45 29.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.242 -0.911 . . . . 0.0 109.584 -179.862 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.546 ' O ' ' NE2' ' A' ' 53' ' ' GLN . . . -89.69 -29.5 15.91 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 99.8 mm-40 -148.75 127.21 12.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.16 -1.2 . . . . 0.0 109.167 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.04 -73.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.528 179.647 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.07 138.25 37.4 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -0.843 . . . . 0.0 111.137 -178.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 5' ' ' ILE . 96.8 m-20 -60.09 -36.73 78.06 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.267 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.77 -12.04 0.2 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.046 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.544 ' H ' ' C ' ' B' ' 3' ' ' ASP . 33.9 mt -59.93 -35.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.706 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 57.4 t0 -60.34 -37.03 79.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.541 -0.724 . . . . 0.0 109.143 179.243 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -62.82 -37.15 85.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.181 -0.949 . . . . 0.0 109.385 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.41 72.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 -179.479 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.91 -41.14 91.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 -40.06 94.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.47 5.99 49.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.155 -0.966 . . . . 0.0 110.64 -178.726 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -49.36 -41.7 39.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.748 -1.22 . . . . 0.0 108.928 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.49 -39.41 90.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.479 -0.763 . . . . 0.0 109.766 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 87.8 tttt -60.62 -40.05 90.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.037 -1.039 . . . . 0.0 110.053 -179.098 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -87.48 -12.95 44.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.032 -1.043 . . . . 0.0 109.709 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 29.5 m80 58.69 -139.13 0.78 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.496 -0.752 . . . . 0.0 110.207 179.145 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.99 -2.12 56.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -80.22 83.0 6.15 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.42 -28.99 65.49 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.485 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.3 -40.36 90.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.957 -1.089 . . . . 0.0 110.337 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.52 89.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.055 . . . . 0.0 108.629 179.551 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -61.81 -44.85 96.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.626 -0.671 . . . . 0.0 109.655 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.07 -40.01 76.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.144 -0.973 . . . . 0.0 109.381 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.7 m -64.71 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.419 -0.801 . . . . 0.0 110.28 -179.646 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.95 -40.08 75.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.917 -179.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.28 -2.96 57.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.119 -0.988 . . . . 0.0 108.918 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.6 m120 52.64 47.43 24.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 0.0 110.718 178.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 mt -117.59 151.48 48.4 Favored Pre-proline 0 N--CA 1.503 2.206 0 O-C-N 121.353 -0.842 . . . . 0.0 108.841 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.34 154.01 56.07 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.9 1.733 . . . . 0.0 111.603 179.575 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -41.52 -24.04 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.659 2.239 . . . . 0.0 113.671 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.97 -53.0 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.863 -1.148 . . . . 0.0 110.071 -178.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -40.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.923 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.083 -1.011 . . . . 0.0 109.6 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.25 -40.02 88.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 178.698 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.09 -40.79 95.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 -179.181 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.23 -40.16 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.03 -40.2 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.183 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.8 -19.64 29.84 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.738 -179.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.6 m -92.1 -44.12 9.0 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.094 -1.003 . . . . 0.0 108.748 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.03 123.68 17.86 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.46 -20.82 56.63 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.851 -1.156 . . . . 0.0 110.088 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -78.79 -46.92 17.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.974 -1.079 . . . . 0.0 110.242 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.6 m -78.9 -21.0 48.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.051 -1.03 . . . . 0.0 110.225 -179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.31 -69.49 0.53 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.975 -1.078 . . . . 0.0 108.89 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.82 152.13 29.89 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -76.67 -6.35 51.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.77 -140.41 7.51 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -82.15 145.11 30.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -1.166 . . . . 0.0 109.206 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.73 -84.7 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.115 -0.991 . . . . 0.0 109.038 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -78.6 151.24 32.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 0.0 109.403 179.717 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -83.38 143.73 30.12 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 109.748 179.754 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.535 ' O ' ' NE2' ' B' ' 53' ' ' GLN . . . -89.95 -29.49 15.28 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.736 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 52' ' ' GLY . 99.8 mm-40 -148.75 127.3 12.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.09 -1.241 . . . . 0.0 109.133 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.0 t -89.96 -73.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.431 -0.793 . . . . 0.0 109.077 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.479 179.806 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.9 mt -98.6 137.02 37.85 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.401 -0.812 . . . . 0.0 111.183 -178.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 5' ' ' ILE . 93.4 m-20 -60.76 -39.05 87.3 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.44 -11.7 0.16 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.151 -1.58 . . . . 0.0 109.151 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.541 ' H ' ' C ' ' A' ' 3' ' ' ASP . 41.7 mt -59.79 -32.75 50.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.406 -1.055 . . . . 0.0 108.299 178.815 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.17 -0.956 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.77 -39.49 88.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.177 -0.952 . . . . 0.0 108.569 179.44 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.2 79.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.501 -0.749 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -60.11 -40.91 91.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.83 -1.169 . . . . 0.0 109.021 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -61.55 -40.01 93.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.52 -0.737 . . . . 0.0 110.214 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.1 2.08 56.9 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.277 -0.889 . . . . 0.0 110.386 -178.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.04 -39.68 20.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 96.4 mt-10 -59.86 -39.43 85.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.407 -0.808 . . . . 0.0 109.069 179.865 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.3 tttm -60.42 -39.76 88.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.0 109.73 -179.883 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -85.04 -16.52 40.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 9.1 m80 59.74 -137.28 0.73 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 t -86.7 -1.85 58.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.855 . . . . 0.0 110.285 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.44 79.24 8.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.945 -1.097 . . . . 0.0 109.588 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.96 -25.77 63.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.0 109.809 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.18 78.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.17 -0.956 . . . . 0.0 109.759 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.41 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.0 81.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.094 -1.004 . . . . 0.0 109.583 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.8 m -64.86 -39.95 94.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 0.0 110.76 -179.413 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -70.02 -40.02 75.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.079 -1.013 . . . . 0.0 110.707 -178.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -92.81 -2.26 56.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.155 -0.966 . . . . 0.0 108.978 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m120 52.09 46.64 26.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.402 -0.811 . . . . 0.0 110.03 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.36 151.41 44.35 Favored Pre-proline 0 N--CA 1.501 2.117 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.8 Cg_endo -72.72 150.42 50.29 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.891 1.727 . . . . 0.0 111.538 179.329 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -40.65 -23.72 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.428 2.085 . . . . 0.0 113.122 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.98 -50.57 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.949 -1.094 . . . . 0.0 110.327 -178.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -76.97 -38.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.12 -0.988 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.61 68.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 109.089 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.63 -40.02 90.43 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.37 -40.0 92.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 110.455 -179.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.01 -40.66 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.15 -39.56 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.87 -24.89 64.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.773 -0.579 . . . . 0.0 110.705 -179.525 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -92.52 -34.41 14.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.866 -1.146 . . . . 0.0 109.647 -179.327 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.5 t -60.01 130.63 47.68 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.067 -1.021 . . . . 0.0 108.554 179.022 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -76.69 -34.89 58.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 0.0 110.911 -179.035 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.28 -40.05 74.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 110.868 -178.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -85.32 -1.04 56.54 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.534 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.9 tp-100 -69.5 -57.99 4.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.026 -1.046 . . . . 0.0 109.482 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.52 145.24 27.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.462 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.93 -40.15 75.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.868 . . . . 0.0 109.221 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.41 -105.59 0.27 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 56.3 mp0 -85.78 102.91 14.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.19 -1.183 . . . . 0.0 109.155 179.753 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.03 59.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 110.146 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.5 ptp -78.44 131.01 36.73 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.03 . . . . 0.0 109.626 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.2 -0.46 57.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.141 -0.975 . . . . 0.0 109.979 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.43 -159.78 53.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.56 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.68 137.36 36.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -1.123 . . . . 0.0 109.914 -179.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.05 123.69 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 109.135 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.478 -179.881 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.59 137.08 37.75 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.856 0.836 . . . . 0.0 111.079 -178.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.549 ' C ' ' H ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.84 -39.24 88.33 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.17 -11.87 0.15 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.549 ' H ' ' C ' ' B' ' 3' ' ' ASP . 41.5 mt -59.75 -32.67 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 121.407 -1.055 . . . . 0.0 108.352 178.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -40.03 88.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.061 179.308 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.71 -39.34 88.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 108.625 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.48 80.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -59.93 -40.71 89.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.857 -1.152 . . . . 0.0 108.93 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.66 -40.06 93.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.447 -0.783 . . . . 0.0 110.145 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.13 2.22 56.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.296 -0.877 . . . . 0.0 110.415 -178.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.24 -39.51 21.57 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.001 -1.062 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 96.5 mt-10 -60.03 -39.39 85.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.367 -0.833 . . . . 0.0 109.073 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.437 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.34 -39.85 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.839 . . . . 0.0 109.681 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.0 -16.54 40.46 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.007 -1.058 . . . . 0.0 109.95 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 9.2 m80 59.85 -137.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.738 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 24.8 t -86.36 -1.94 57.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 0.0 110.3 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.51 79.24 8.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.702 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.9 -25.6 63.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.898 . . . . 0.0 109.825 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.48 -40.49 91.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.051 -179.401 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.29 78.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -63.29 -40.08 96.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.978 . . . . 0.0 109.74 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.01 81.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.134 -0.979 . . . . 0.0 109.582 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.4 m -64.8 -39.98 94.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.191 -0.943 . . . . 0.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.67 -178.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -92.8 -2.42 55.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.131 -0.981 . . . . 0.0 109.015 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m120 52.12 46.6 26.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.404 -0.81 . . . . 0.0 109.978 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.18 151.41 44.23 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.33 -0.856 . . . . 0.0 109.463 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.6 Cg_endo -72.72 150.28 50.02 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.99 1.794 . . . . 0.0 111.493 179.326 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -40.66 -23.47 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.367 2.045 . . . . 0.0 113.025 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.06 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.958 -1.089 . . . . 0.0 110.552 -178.74 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.85 -38.21 28.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 109.652 -179.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.27 70.41 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.182 -0.949 . . . . 0.0 109.038 -179.448 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.86 -40.01 91.31 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 110.065 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.34 -39.99 92.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 110.347 -179.115 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.99 -40.64 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 107.901 -179.634 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.14 -39.9 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.392 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -25.02 64.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.672 -0.643 . . . . 0.0 110.681 -179.602 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -92.65 -34.37 14.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.769 -1.207 . . . . 0.0 109.644 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.143 -0.973 . . . . 0.0 108.54 178.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -76.67 -35.21 58.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.147 -0.971 . . . . 0.0 110.931 -179.026 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.09 -40.02 75.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.069 -1.019 . . . . 0.0 110.778 -178.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -85.22 -1.12 56.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.911 -1.118 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 71.8 tp60 -69.48 -57.82 4.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.059 -1.026 . . . . 0.0 109.531 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.2 mt -85.98 145.17 27.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.26 -0.9 . . . . 0.0 109.512 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.96 -40.11 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.397 -0.815 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.48 -105.73 0.27 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 56.3 mp0 -85.67 103.5 14.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.149 -1.206 . . . . 0.0 109.049 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.88 -10.04 59.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.368 -0.833 . . . . 0.0 110.108 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 14.5 ptp -78.36 130.99 36.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.106 -0.996 . . . . 0.0 109.582 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -90.04 -0.83 57.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.008 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.72 -159.5 53.66 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.83 137.43 36.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.192 -1.181 . . . . 0.0 109.774 -179.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.11 123.58 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.097 -1.002 . . . . 0.0 109.543 -179.87 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.07 138.55 36.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.723 0.773 . . . . 0.0 111.495 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 5' ' ' ILE . 63.7 t0 -59.96 -39.99 87.52 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.37 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.6 -10.77 0.25 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 3' ' ' ASP . 38.1 mt -60.02 -32.49 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.395 -1.062 . . . . 0.0 108.446 179.052 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.08 -39.16 85.13 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.27 -38.06 87.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.417 -0.802 . . . . 0.0 109.096 179.548 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.69 71.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.104 -0.997 . . . . 0.0 109.546 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.44 -0.03 57.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.091 -1.005 . . . . 0.0 110.744 -178.625 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.91 -46.03 42.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.797 -1.189 . . . . 0.0 108.963 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -40.02 87.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.454 -0.779 . . . . 0.0 109.45 179.273 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.297 -0.877 . . . . 0.0 109.756 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.21 -11.19 56.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.934 -1.104 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 58.99 -135.99 0.86 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.538 -0.726 . . . . 0.0 110.46 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -83.94 -4.53 58.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.564 -0.71 . . . . 0.0 110.561 -178.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.64 76.13 7.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.861 -1.149 . . . . 0.0 109.86 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.58 -24.71 62.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.952 . . . . 0.0 109.892 179.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.13 -40.08 92.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.993 . . . . 0.0 109.822 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.68 89.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.22 -42.25 99.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 0.0 109.359 179.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.05 79.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.067 -1.021 . . . . 0.0 109.818 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 41.4 t -65.49 -38.5 89.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.088 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.56 -39.9 77.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.244 -0.91 . . . . 0.0 110.254 -179.348 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.64 0.23 56.41 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.096 -1.002 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 52.11 46.15 27.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.283 -0.886 . . . . 0.0 110.308 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.5 mt -115.52 152.71 47.41 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.469 -0.769 . . . . 0.0 109.356 -179.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 74.3 Cg_endo -74.01 149.99 42.63 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.052 1.835 . . . . 0.0 111.39 179.346 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -39.87 -23.77 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.414 2.076 . . . . 0.0 113.384 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.2 t -60.0 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.849 -1.157 . . . . 0.0 110.454 -178.664 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.92 -40.0 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.147 -0.97 . . . . 0.0 110.176 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.109 -0.995 . . . . 0.0 109.489 -179.25 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -60.02 -40.0 87.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.227 -0.92 . . . . 0.0 110.022 179.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.17 -39.94 92.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 0.0 110.441 -179.085 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 36' ' ' ILE . 96.7 mt -60.7 -41.63 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.877 -1.139 . . . . 0.0 108.494 -179.709 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.01 -39.97 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.55 -26.01 65.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.721 -0.612 . . . . 0.0 110.405 -179.618 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -91.6 -33.99 14.89 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.645 -179.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.55 126.1 26.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 108.543 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.28 -34.05 61.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.45 -39.96 74.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.677 -178.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.4 1.12 49.97 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.837 -1.164 . . . . 0.0 109.565 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -77.07 -71.15 0.42 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.179 -0.95 . . . . 0.0 109.157 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.14 145.07 27.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.131 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 48' ' ' GLU . 63.0 mttm -79.42 -7.87 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 108.761 178.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.98 -27.7 2.64 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 46' ' ' LYS . 96.0 mt-10 -89.19 118.44 28.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.285 -1.126 . . . . 0.0 109.677 179.793 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.25 -13.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 0.0 109.613 179.646 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.9 mtt -79.72 -9.8 59.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.933 -179.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.87 151.12 26.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.055 -1.028 . . . . 0.0 109.486 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.32 -125.76 0.82 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -159.2 127.69 5.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -1.174 . . . . 0.0 109.622 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -92.78 143.3 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.317 -0.864 . . . . 0.0 109.549 -179.753 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.668 -179.831 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.03 138.61 36.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.43 -0.794 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.538 ' C ' ' H ' ' B' ' 5' ' ' ILE . 63.9 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.293 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 -10.78 0.25 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' B' ' 3' ' ' ASP . 37.6 mt -60.0 -32.54 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.286 -1.126 . . . . 0.0 108.381 179.085 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.04 -39.12 84.81 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.31 -38.12 88.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.426 -0.796 . . . . 0.0 109.092 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -34.71 71.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.218 -0.926 . . . . 0.0 109.494 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.26 -40.06 88.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -40.03 88.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.353 -0.842 . . . . 0.0 110.546 -179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.48 0.03 57.39 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.037 -1.039 . . . . 0.0 110.725 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -48.9 -46.09 42.29 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.864 -1.147 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.372 179.315 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.51 -39.98 89.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.162 -0.961 . . . . 0.0 109.792 -179.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.28 -11.13 56.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 109.227 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 58.87 -136.16 0.87 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.527 -0.733 . . . . 0.0 110.44 179.156 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.9 m -83.77 -4.51 58.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.509 -0.745 . . . . 0.0 110.65 -178.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.75 76.19 7.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.798 -179.237 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.52 -24.82 62.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.865 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.16 -39.92 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.79 88.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.201 -0.937 . . . . 0.0 109.364 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.16 -42.23 99.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 179.505 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.04 79.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 109.812 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 41.3 t -65.51 -38.53 89.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.045 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.43 -40.12 77.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 0.0 110.256 -179.329 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -93.54 0.21 56.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.128 -0.983 . . . . 0.0 109.552 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' B' ' 24' ' ' SER . 10.0 m120 52.02 46.27 26.89 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.0 110.268 179.073 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.48 152.69 47.34 Favored Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.406 -0.808 . . . . 0.0 109.457 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' B' ' 31' ' ' VAL . 74.5 Cg_endo -73.89 150.01 43.27 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.116 1.877 . . . . 0.0 111.47 179.34 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.02 -23.41 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.325 2.016 . . . . 0.0 113.257 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.03 -52.75 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.86 -1.15 . . . . 0.0 110.546 -178.491 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.75 -39.97 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.172 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.9 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.485 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.99 -40.01 87.72 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.184 -0.948 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.17 -40.11 92.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.191 -0.943 . . . . 0.0 110.364 -179.035 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 36' ' ' ILE . 96.7 mt -60.52 -41.71 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.866 -1.146 . . . . 0.0 108.569 -179.752 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.13 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 177.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.43 -26.14 64.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.755 -0.591 . . . . 0.0 110.407 -179.646 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.5 m -91.74 -33.71 14.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.982 -1.074 . . . . 0.0 109.723 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.65 126.01 25.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.066 -1.021 . . . . 0.0 108.567 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -75.12 -34.08 61.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 110.183 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.37 -40.08 74.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.7 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.8 m -85.41 1.18 49.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.011 -1.056 . . . . 0.0 109.671 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.08 -71.14 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -1.0 . . . . 0.0 109.035 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 mt -86.12 145.07 27.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 0.0 109.199 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' B' ' 48' ' ' GLU . 63.1 mttm -79.44 -7.95 58.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.784 179.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.96 -27.57 2.65 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' B' ' 46' ' ' LYS . 96.0 mt-10 -89.24 118.43 28.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -1.052 . . . . 0.0 109.697 179.673 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.16 -13.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 179.565 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.9 mtt -79.44 -10.05 59.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 0.0 110.001 -179.325 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -82.26 151.06 26.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.992 -1.068 . . . . 0.0 109.533 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.29 -125.71 0.81 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -159.25 127.64 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.174 -1.192 . . . . 0.0 109.619 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.9 m -92.77 143.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.303 -0.873 . . . . 0.0 109.634 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 46.4 t0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.551 -179.752 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.743 0.782 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -94.45 145.8 24.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.559 -0.713 . . . . 0.0 110.288 -179.572 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.01 -39.91 87.43 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.876 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.56 -17.96 0.31 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.265 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' ASP . 78.7 mt -60.09 -40.81 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.473 -1.016 . . . . 0.0 108.775 179.035 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.22 -40.06 92.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -66.31 -37.77 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.86 71.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.391 -0.818 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -42.03 93.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 108.931 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.61 -39.99 95.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.568 -0.708 . . . . 0.0 109.933 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.82 8.5 40.92 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.339 -0.851 . . . . 0.0 110.01 -178.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.39 -47.03 56.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.186 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -37.21 81.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 109.766 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -60.47 -36.98 79.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.21 -15.59 49.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.827 -1.171 . . . . 0.0 109.697 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 57.64 -136.95 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.405 -0.809 . . . . 0.0 109.755 179.724 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -83.01 -5.99 59.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.98 -179.709 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -81.08 72.75 8.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.066 -1.021 . . . . 0.0 109.673 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -23.97 63.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.0 -40.32 88.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.215 -0.928 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.23 89.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.101 -0.999 . . . . 0.0 109.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 ttp -62.94 -42.27 99.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.917 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.39 -40.04 85.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 t -67.03 -38.34 85.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.264 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.95 -40.13 79.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.164 -0.96 . . . . 0.0 109.933 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.82 -0.75 47.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.25 -0.906 . . . . 0.0 109.071 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 m120 51.97 49.3 21.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 0.0 109.973 179.53 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.32 125.68 27.99 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.558 -0.714 . . . . 0.0 109.9 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 88.5 Cg_exo -46.91 149.11 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.505 1.47 . . . . 0.0 111.622 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.41 -20.72 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.422 2.081 . . . . 0.0 113.395 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.0 -52.55 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.753 -1.217 . . . . 0.0 111.188 -178.01 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -72.31 -39.95 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.035 -1.04 . . . . 0.0 110.675 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.92 83.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.975 -1.078 . . . . 0.0 108.923 -178.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.03 -40.02 87.91 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 109.774 178.692 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.32 -40.49 97.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 110.339 -179.092 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 36' ' ' ILE . 96.8 mt -60.23 -41.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.726 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.19 -40.03 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 177.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.562 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.63 -18.3 58.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.667 -0.646 . . . . 0.0 109.962 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -93.4 -37.46 11.97 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.857 -1.152 . . . . 0.0 109.223 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.6 t -60.09 130.72 48.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 108.807 179.173 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.97 -26.16 48.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 109.968 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -42.99 62.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.983 . . . . 0.0 110.173 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.5 -3.52 58.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.995 -1.066 . . . . 0.0 110.272 -179.549 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.8 tp-100 -70.03 -59.96 2.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.04 -1.037 . . . . 0.0 109.81 -179.543 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.22 145.39 25.91 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.202 -0.936 . . . . 0.0 109.072 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.5 -9.97 59.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.132 179.609 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -14.94 57.83 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.519 ' OE2' ' CD2' ' A' ' 51' ' ' HIS . 86.1 tt0 -80.17 -35.41 36.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -1.2 . . . . 0.0 109.014 179.786 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 32.1 -98.0 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.242 0.544 . . . . 0.0 111.559 179.676 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 ttt -80.3 130.74 35.4 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.325 -0.859 . . . . 0.0 110.594 -179.149 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 67.3 m80 -80.89 -35.03 33.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.283 -0.886 . . . . 0.0 109.528 179.445 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.17 15.95 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -81.21 135.39 35.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.221 -1.164 . . . . 0.0 109.748 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.17 -73.79 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.332 -0.855 . . . . 0.0 109.818 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.366 -179.552 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.631 0.729 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.34 145.8 24.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.626 -0.671 . . . . 0.0 110.332 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 178.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.37 -18.14 0.3 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' B' ' 3' ' ' ASP . 78.2 mt -60.06 -40.83 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.389 -1.065 . . . . 0.0 108.742 179.123 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.24 -39.96 92.25 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.44 -37.62 85.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.42 -0.8 . . . . 0.0 108.968 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.76 71.59 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 0.0 109.396 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.99 -42.09 93.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.52 -40.0 95.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.558 -0.714 . . . . 0.0 109.929 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.81 8.53 40.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.394 -0.816 . . . . 0.0 109.962 -178.671 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -50.32 -47.03 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 179.59 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.93 -37.25 81.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.543 -0.723 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -60.36 -37.09 79.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 -179.051 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.94 -15.67 50.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.944 -1.098 . . . . 0.0 109.776 -179.258 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 57.62 -137.24 0.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.391 -0.818 . . . . 0.0 109.716 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -82.74 -6.04 59.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 110.04 -179.69 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.07 72.75 8.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.975 -1.078 . . . . 0.0 109.559 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -70.0 -23.95 63.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.148 -0.97 . . . . 0.0 109.352 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.13 -40.25 89.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.11 89.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 49.1 ttp -63.03 -42.19 99.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.96 179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.46 -40.06 85.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.553 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -66.97 -38.38 85.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.443 -0.785 . . . . 0.0 110.306 -179.481 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.04 -40.06 78.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.967 . . . . 0.0 109.917 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.85 -0.77 47.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 109.0 179.399 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.9 m120 52.06 49.21 21.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.946 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -117.23 125.65 28.03 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' B' ' 31' ' ' VAL . 89.1 Cg_exo -46.88 149.23 3.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.485 1.457 . . . . 0.0 111.61 178.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.61 -20.64 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.337 2.024 . . . . 0.0 113.336 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.5 t -60.04 -52.6 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.757 -1.215 . . . . 0.0 111.178 -178.008 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.98 -40.08 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.799 -1.188 . . . . 0.0 110.79 -178.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.07 83.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 108.962 -178.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.95 -40.05 87.67 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.727 178.721 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.36 -40.04 96.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.26 -179.144 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 36' ' ' ILE . 96.7 mt -60.72 -41.24 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.815 -1.178 . . . . 0.0 107.831 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.47 -40.0 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.14 61.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.731 -0.606 . . . . 0.0 109.961 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -92.47 -37.21 12.66 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.05 -1.032 . . . . 0.0 109.353 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.18 130.88 48.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 108.865 179.129 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.14 -26.23 47.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -0.998 . . . . 0.0 109.863 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -43.03 62.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.978 . . . . 0.0 110.231 -179.225 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -84.44 -3.45 58.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.014 -1.053 . . . . 0.0 110.217 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -70.06 -60.03 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.028 -1.045 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.11 145.29 26.02 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.288 -0.883 . . . . 0.0 109.119 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.31 -9.98 59.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 0.0 109.215 179.595 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -15.19 56.86 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.518 ' OE2' ' CD2' ' B' ' 51' ' ' HIS . 86.0 tt0 -79.73 -35.57 38.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -1.16 . . . . 0.0 109.055 179.728 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 31.97 -98.35 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.293 0.568 . . . . 0.0 111.523 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.8 ttt -79.81 131.16 35.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.53 -179.085 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.518 ' CD2' ' OE2' ' B' ' 48' ' ' GLU . 67.3 m80 -81.39 -34.46 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.235 -0.916 . . . . 0.0 109.586 179.383 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.32 179.12 16.01 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -81.27 135.2 35.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.182 -1.187 . . . . 0.0 109.889 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.5 t -89.95 -73.94 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.401 -0.812 . . . . 0.0 109.821 179.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.389 -179.483 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.0 mt -101.25 140.07 36.06 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.622 0.725 . . . . 0.0 111.263 -178.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 5' ' ' ILE . 96.1 m-20 -60.07 -39.67 86.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.419 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.99 -12.36 0.15 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.349 -1.501 . . . . 0.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' A' ' 3' ' ' ASP . 39.0 mt -59.94 -33.2 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.384 -1.068 . . . . 0.0 108.322 178.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.97 -38.94 83.98 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.654 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 11' ' ' GLU . 64.6 tttm -62.17 -39.42 92.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.459 -0.775 . . . . 0.0 109.361 179.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.43 70.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 109.759 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.19 -40.8 91.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.956 -1.09 . . . . 0.0 109.305 179.66 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.99 -39.94 91.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.428 -0.795 . . . . 0.0 109.904 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 7' ' ' LYS . 97.7 mt-10 -91.18 0.54 57.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.323 -0.861 . . . . 0.0 110.602 -178.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.71 -44.97 38.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.599 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.45 -36.24 77.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.253 -0.905 . . . . 0.0 110.066 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.3 -37.31 87.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 0.0 109.923 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.65 -11.93 46.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.936 -1.103 . . . . 0.0 109.227 179.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 m80 57.97 -138.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.605 -0.684 . . . . 0.0 110.167 179.287 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.44 -0.84 51.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.046 -179.342 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.61 76.69 7.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.005 . . . . 0.0 109.572 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -26.93 64.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.929 . . . . 0.0 109.954 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -40.05 88.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 110.073 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.1 86.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.7 ttp -63.19 -40.37 97.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.308 -0.87 . . . . 0.0 109.611 179.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.06 -40.02 83.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.047 -1.033 . . . . 0.0 109.626 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -68.71 -34.4 75.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.199 -0.938 . . . . 0.0 109.894 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -69.66 -43.42 72.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.178 -0.951 . . . . 0.0 109.593 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.78 -0.26 54.34 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.454 -0.779 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.5 m120 51.39 48.56 22.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.0 109.871 179.726 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 mt -115.81 150.77 45.46 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.47 153.32 49.87 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.06 1.84 . . . . 0.0 112.048 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -41.01 -26.9 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.663 2.242 . . . . 0.0 113.437 179.662 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -49.95 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.872 -1.143 . . . . 0.0 110.515 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.37 -40.89 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 110.001 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.99 71.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.138 -0.976 . . . . 0.0 109.575 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.08 -39.88 87.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 179.169 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.68 -40.43 92.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 -179.451 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.417 HG22 HD11 ' A' ' 36' ' ' ILE . 96.6 mt -60.73 -41.39 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.027 -1.046 . . . . 0.0 108.435 -179.873 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.6 -40.1 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.308 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -20.82 56.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -47.24 8.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.925 -1.109 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.67 130.05 44.94 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.21 -28.54 42.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 110.399 -179.009 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.89 -45.32 51.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.093 -1.005 . . . . 0.0 110.818 -178.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 -27.46 54.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.924 -1.11 . . . . 0.0 109.954 -179.436 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -78.98 -69.57 0.56 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.965 . . . . 0.0 108.896 179.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.82 157.97 26.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.376 -0.828 . . . . 0.0 109.202 179.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -82.0 -3.38 54.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.36 -0.837 . . . . 0.0 108.773 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -114.72 5.1 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -88.89 101.79 14.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.146 -1.208 . . . . 0.0 109.551 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 0.0 109.583 179.608 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.7 mtm -74.51 129.05 37.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.138 -0.976 . . . . 0.0 109.761 -179.168 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.29 162.83 40.94 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.367 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 54' ' ' VAL . . . -162.05 5.9 0.09 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.8 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 40.23 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.897 -0.766 . . . . 0.0 110.83 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.5 m -93.26 143.15 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.781 -1.199 . . . . 0.0 109.944 -179.707 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 18.6 p-10 . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.4 179.584 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 mt -101.19 139.96 36.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.537 -0.727 . . . . 0.0 111.367 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.9 m-20 -59.98 -39.75 86.76 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.2 -12.24 0.16 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 38.6 mt -59.93 -33.23 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.327 -1.102 . . . . 0.0 108.291 178.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.9 -39.01 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' B' ' 11' ' ' GLU . 64.6 tttm -62.04 -39.44 92.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.525 -0.735 . . . . 0.0 109.413 179.707 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -34.54 71.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.0 109.742 -179.604 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.12 -40.62 90.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.01 -40.03 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.473 -0.767 . . . . 0.0 109.897 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' B' ' 7' ' ' LYS . 97.7 mt-10 -91.29 0.68 57.48 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.303 -0.873 . . . . 0.0 110.476 -178.794 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.9 -44.76 40.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.644 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.49 -36.43 78.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.943 . . . . 0.0 109.942 179.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.32 -37.18 86.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.138 -0.976 . . . . 0.0 109.964 -179.025 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -87.73 -12.13 46.14 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.942 -1.099 . . . . 0.0 109.115 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 58.18 -138.59 0.84 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.633 . . . . 0.0 110.037 179.226 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.39 -0.87 51.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 110.046 -179.242 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.55 76.71 7.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.624 -179.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.08 -26.98 64.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.863 179.774 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.131 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.21 86.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.089 -1.007 . . . . 0.0 109.405 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 51.6 ttp -63.09 -40.34 97.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.636 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.06 -40.06 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.113 . . . . 0.0 109.597 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t -68.73 -34.32 75.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.285 -0.884 . . . . 0.0 109.926 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.64 -43.55 72.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.636 -179.249 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.86 -0.25 54.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.525 -0.735 . . . . 0.0 109.348 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.6 m120 51.46 48.53 22.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.213 -0.93 . . . . 0.0 109.872 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -115.81 150.82 45.55 Favored Pre-proline 0 N--CA 1.5 2.048 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.5 153.25 49.68 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.088 1.859 . . . . 0.0 111.966 179.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.98 -26.81 0.28 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.634 2.223 . . . . 0.0 113.386 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -49.91 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 110.648 -178.353 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.47 -40.74 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 110.024 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.83 72.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.97 . . . . 0.0 109.561 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.04 -39.97 87.78 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.65 179.143 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.73 -40.43 92.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.062 -179.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 HG22 ' B' ' 36' ' ' ILE . 96.5 mt -60.78 -41.54 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.975 -1.078 . . . . 0.0 108.448 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.47 -39.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.268 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -20.79 56.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.508 -0.745 . . . . 0.0 109.897 -179.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.37 -47.14 9.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.08 -1.012 . . . . 0.0 108.995 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.84 129.82 43.73 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.88 -28.83 44.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.031 -1.043 . . . . 0.0 110.364 -179.077 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.94 -45.05 52.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.027 -1.046 . . . . 0.0 110.892 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.7 m -77.15 -27.22 53.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.93 -1.106 . . . . 0.0 109.95 -179.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -79.25 -69.56 0.57 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.19 -0.944 . . . . 0.0 108.863 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt -79.93 157.8 26.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.836 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.83 -3.41 53.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.75 -114.99 5.18 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -88.62 101.88 14.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.249 -1.147 . . . . 0.0 109.542 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.67 -2.7 40.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.198 -0.939 . . . . 0.0 109.494 179.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -74.22 129.23 37.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.067 -1.02 . . . . 0.0 109.826 -179.233 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.26 162.75 40.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.456 -0.777 . . . . 0.0 108.911 179.285 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' B' ' 54' ' ' VAL . . . -162.0 5.92 0.09 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.758 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 40.1 -86.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.758 -0.848 . . . . 0.0 110.767 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' B' ' 52' ' ' GLY . 19.7 m -93.11 143.28 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.824 -1.172 . . . . 0.0 109.927 -179.68 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 18.8 p-10 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.381 179.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -103.99 147.49 27.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.485 0.659 . . . . 0.0 110.098 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 94.1 m-20 -59.96 -39.99 87.49 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.638 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.83 -18.94 0.14 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.4 mt -60.1 -41.44 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.601 -0.941 . . . . 0.0 109.307 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.078 -1.014 . . . . 0.0 108.534 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.51 -38.96 92.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.509 -0.744 . . . . 0.0 109.168 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.46 77.57 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.184 -0.948 . . . . 0.0 109.187 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -44.6 94.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.165 -0.959 . . . . 0.0 109.576 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 110.322 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.91 9.55 38.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 109.94 -179.036 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -47.01 -40.6 14.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.146 -0.971 . . . . 0.0 109.719 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.6 mt-10 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 0.0 110.09 179.799 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.1 -39.83 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.973 . . . . 0.0 110.184 -178.866 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -84.65 -23.6 29.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 109.572 -179.655 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 97.9 m-70 56.92 -127.19 1.87 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.404 -0.81 . . . . 0.0 109.878 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -88.6 -0.53 57.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.217 -0.927 . . . . 0.0 110.186 -179.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.05 73.52 6.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 109.639 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -69.95 -25.77 63.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.32 -40.82 91.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.096 -1.002 . . . . 0.0 110.317 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.9 88.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 108.811 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.5 ttm -59.99 -47.57 85.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.716 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.79 -39.99 82.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.138 -0.976 . . . . 0.0 109.263 -179.715 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.0 m -64.27 -39.83 94.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.492 -0.755 . . . . 0.0 110.173 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.75 69.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.305 -178.588 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.67 -0.01 56.26 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.283 -0.885 . . . . 0.0 109.679 -179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 17.9 m120 53.61 48.09 22.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.31 -0.869 . . . . 0.0 110.642 178.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.83 152.42 56.07 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.461 -0.775 . . . . 0.0 108.932 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.04 157.93 58.25 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.8 1.667 . . . . 0.0 111.75 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -44.19 -21.18 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.513 2.142 . . . . 0.0 112.663 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -49.99 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.57 -42.57 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.904 -1.123 . . . . 0.0 111.021 -178.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.14 74.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.81 -1.181 . . . . 0.0 109.411 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.11 -39.97 88.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.205 -0.934 . . . . 0.0 110.018 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.39 -39.9 94.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 110.194 -179.127 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.52 -40.49 84.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.01 -39.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.21 19.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.59 -0.694 . . . . 0.0 109.652 -179.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -88.22 -46.27 9.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.027 . . . . 0.0 109.123 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.07 128.19 35.57 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 108.74 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.52 -23.22 46.39 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.083 -1.011 . . . . 0.0 109.812 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.07 -49.28 14.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.276 -0.89 . . . . 0.0 111.029 -179.569 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -77.48 -24.93 50.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 111.213 -178.333 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.65 -41.77 75.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.804 -1.185 . . . . 0.0 110.347 -178.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.9 mt -87.44 141.48 28.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 0.0 109.357 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.12 -69.98 0.55 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 0.0 108.918 179.619 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.21 80.77 0.51 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' HIS . 85.0 mt-10 -145.73 0.96 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -1.131 . . . . 0.0 108.67 179.319 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 50' ' ' MET . . . -76.31 161.16 28.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 1.6 tpt 77.82 -18.45 0.5 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.793 -0.567 . . . . 0.0 109.852 179.589 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLU . 40.1 p-80 -154.19 160.02 41.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.109 -0.994 . . . . 0.0 109.616 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.65 53.51 0.04 OUTLIER Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.029 -1.628 . . . . 0.0 109.029 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -79.95 147.86 31.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -1.107 . . . . 0.0 109.015 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.82 119.44 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.331 -179.893 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -104.11 147.56 27.28 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.546 0.688 . . . . 0.0 109.978 -179.682 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.0 m-20 -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.77 -19.08 0.14 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 3' ' ' ASP . 76.5 mt -60.0 -41.52 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.401 -1.058 . . . . 0.0 109.361 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -60.01 -39.91 87.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -0.996 . . . . 0.0 108.571 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.61 -38.99 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.555 -0.715 . . . . 0.0 109.228 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.5 77.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.863 . . . . 0.0 109.221 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.95 -44.7 94.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.02 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.77 -39.98 90.8 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.813 . . . . 0.0 110.375 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.82 9.52 38.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.136 -0.978 . . . . 0.0 109.959 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t -47.03 -40.49 14.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.809 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.5 mt-10 -60.11 -39.82 87.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.895 . . . . 0.0 110.031 179.888 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.17 -39.94 88.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 110.138 -178.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.66 -23.49 29.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.928 -1.108 . . . . 0.0 109.585 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 97.9 m-70 56.86 -127.47 1.87 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.48 -0.763 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -88.28 -0.58 57.29 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.206 -0.934 . . . . 0.0 110.255 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.02 73.53 6.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.989 -1.069 . . . . 0.0 109.658 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -70.09 -25.59 63.59 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.22 -0.925 . . . . 0.0 109.602 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.63 -40.68 92.83 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.106 -0.997 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 88.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.879 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.8 ttm -59.98 -47.71 84.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 0.0 109.683 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.77 -39.98 82.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.179 -179.7 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 64.8 m -64.14 -39.86 94.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.79 69.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.184 -0.947 . . . . 0.0 110.314 -178.627 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.64 0.01 56.32 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.207 -0.933 . . . . 0.0 109.637 -179.715 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.9 m120 53.51 48.1 22.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.338 -0.851 . . . . 0.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 30.9 mt -120.85 152.36 56.04 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.94 158.0 58.18 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.881 1.721 . . . . 0.0 111.687 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -44.27 -21.26 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.387 2.058 . . . . 0.0 112.728 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -49.99 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -75.27 -42.52 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.7 -1.25 . . . . 0.0 111.075 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.23 74.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.729 -1.232 . . . . 0.0 109.413 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.213 -0.929 . . . . 0.0 110.015 179.182 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.29 -40.18 95.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.168 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.42 -40.01 82.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.39 -39.93 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.417 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.46 -20.37 19.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 109.679 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.9 m -87.99 -46.48 9.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.132 -0.98 . . . . 0.0 109.12 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.0 128.17 35.51 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.256 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.43 -23.32 46.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.636 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.14 -49.21 14.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.182 -0.949 . . . . 0.0 111.085 -179.572 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.6 m -77.23 -25.15 51.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.168 -0.958 . . . . 0.0 111.253 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -69.4 -42.06 75.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.827 -1.171 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -87.33 141.48 28.6 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.099 -1.0 . . . . 0.0 109.389 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.0 -69.93 0.55 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.119 -0.988 . . . . 0.0 109.003 179.621 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 80.68 0.51 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 51' ' ' HIS . 85.4 mt-10 -145.79 1.06 0.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.305 -1.115 . . . . 0.0 108.696 179.316 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' B' ' 50' ' ' MET . . . -76.38 161.26 28.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.828 . . . . 0.0 110.123 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 1.6 tpt 77.64 -18.73 0.48 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.63 -0.669 . . . . 0.0 109.862 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' B' ' 48' ' ' GLU . 40.2 p-80 -153.76 160.26 42.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.556 179.794 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.47 53.33 0.04 OUTLIER Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -79.81 147.96 31.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -1.129 . . . . 0.0 109.047 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.9 119.42 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.112 -0.993 . . . . 0.0 109.083 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.408 -179.82 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.99 139.86 33.2 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.705 0.764 . . . . 0.0 110.725 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.8 m-20 -59.99 -39.28 85.19 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -14.92 0.08 OUTLIER Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' ASP . 36.1 mt -58.47 -35.0 52.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.33 -0.856 . . . . 0.0 109.057 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 108.969 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.97 74.86 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 0.0 109.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.1 -39.95 87.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.196 -0.94 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.398 -0.814 . . . . 0.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -93.34 3.86 54.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.178 -0.951 . . . . 0.0 110.449 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -48.95 -41.99 35.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.937 -1.102 . . . . 0.0 109.189 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.3 tt0 -60.06 -39.98 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.208 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.11 -39.98 92.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.775 . . . . 0.0 109.65 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -87.32 -14.49 40.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.002 . . . . 0.0 109.487 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 67.5 m-70 58.08 -134.68 1.05 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 0.0 110.56 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -86.11 -0.14 54.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 110.172 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.77 75.57 6.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.014 -1.054 . . . . 0.0 109.321 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.98 -27.2 64.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.306 -0.871 . . . . 0.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.01 -40.99 91.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.975 . . . . 0.0 109.881 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.9 81.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.428 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.8 ttp -63.54 -40.49 97.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.195 -0.941 . . . . 0.0 109.762 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.55 -40.1 82.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.919 -1.113 . . . . 0.0 109.219 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.7 m -65.21 -40.0 93.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.443 -0.786 . . . . 0.0 110.146 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -68.58 -40.0 80.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.152 -0.968 . . . . 0.0 110.019 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.81 -1.7 45.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.744 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' ALA . 89.3 m-20 51.03 47.92 24.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.176 -0.952 . . . . 0.0 110.495 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -114.37 151.42 45.09 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.454 -0.779 . . . . 0.0 109.114 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.7 Cg_endo -70.09 149.33 64.61 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.881 1.721 . . . . 0.0 111.535 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.25 -22.89 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.133 1.888 . . . . 0.0 112.526 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -60.02 -53.17 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.001 . . . . 0.0 110.073 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.16 -40.01 57.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.216 -0.927 . . . . 0.0 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.8 68.1 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.1 -1.0 . . . . 0.0 109.358 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.04 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.045 -1.034 . . . . 0.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 16.1 tm-20 -62.12 -40.0 94.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.804 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.02 -40.1 82.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.12 -40.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.14 -19.74 63.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.868 -0.52 . . . . 0.0 110.717 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.4 m -95.3 -35.12 11.92 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.942 -1.099 . . . . 0.0 109.734 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -59.99 133.6 56.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.927 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.07 -27.69 48.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 110.483 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.31 -43.1 34.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.952 -1.093 . . . . 0.0 110.868 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -85.55 1.13 50.3 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -0.984 . . . . 0.0 110.979 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -62.89 -49.98 72.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.908 -1.12 . . . . 0.0 109.576 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.19 -0.944 . . . . 0.0 109.425 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -97.95 139.93 33.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.41 -0.806 . . . . 0.0 110.665 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.0 m-20 -60.04 -39.31 85.47 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.57 -14.89 0.08 OUTLIER Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' B' ' 3' ' ' ASP . 36.3 mt -58.5 -35.0 52.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.96 -40.06 87.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.058 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.97 -39.94 95.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 108.974 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.13 74.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.0 88.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.817 . . . . 0.0 110.355 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -93.37 3.93 54.81 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.094 -1.004 . . . . 0.0 110.454 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.94 -42.14 36.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.87 -1.144 . . . . 0.0 109.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.447 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.423 -0.798 . . . . 0.0 109.252 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.462 -0.774 . . . . 0.0 109.713 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -87.13 -14.6 40.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.077 -1.015 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 67.2 m-70 58.12 -134.57 1.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.404 -0.81 . . . . 0.0 110.585 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -86.14 -0.22 55.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.17 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.76 75.73 6.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.04 . . . . 0.0 109.3 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.99 -27.32 64.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.831 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.91 81.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.194 -0.941 . . . . 0.0 109.436 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.47 -40.41 97.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.61 -40.12 82.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.005 -1.059 . . . . 0.0 109.155 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.1 m -65.17 -40.05 93.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.45 -0.781 . . . . 0.0 110.139 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.61 -39.94 80.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 110.018 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -96.87 -1.7 45.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.0 109.663 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.1 m-20 51.04 47.96 23.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.194 -0.942 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -114.42 151.4 45.12 Favored Pre-proline 0 N--CA 1.501 2.081 0 O-C-N 121.412 -0.805 . . . . 0.0 109.106 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.5 Cg_endo -70.1 149.38 64.61 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.874 1.716 . . . . 0.0 111.577 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -41.28 -22.88 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.114 1.876 . . . . 0.0 112.527 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 29' ' ' PRO . 79.6 t -60.08 -53.17 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.098 -1.002 . . . . 0.0 110.076 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.1 -39.93 57.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.262 -0.899 . . . . 0.0 109.889 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.83 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.176 -0.953 . . . . 0.0 109.404 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.12 -39.94 88.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.017 . . . . 0.0 109.591 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 16.1 tm-20 -62.17 -39.99 94.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.357 -0.839 . . . . 0.0 110.756 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.97 -40.06 81.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 107.961 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.08 -40.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 -19.64 63.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.869 -0.519 . . . . 0.0 110.728 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 62.6 m -95.2 -35.19 11.94 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.935 -1.103 . . . . 0.0 109.819 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.3 t -59.97 133.54 56.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.246 -0.908 . . . . 0.0 108.999 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.04 -27.78 48.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 110.477 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -77.21 -43.11 34.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 0.0 110.918 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.57 0.95 51.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.128 -0.982 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.8 -49.97 72.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 109.562 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.449 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -101.17 137.89 38.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.774 . . . . 0.0 110.894 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 64.2 t0 -59.96 -38.34 82.19 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.01 -9.6 0.22 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 25.6 mt -58.36 -34.38 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -1.109 . . . . 0.0 108.433 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.12 -39.6 86.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.132 -0.98 . . . . 0.0 108.906 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.18 -37.4 80.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.448 -0.783 . . . . 0.0 109.525 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.17 72.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.99 -40.09 87.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.021 -1.05 . . . . 0.0 109.72 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.89 -39.95 91.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -95.05 2.37 55.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.131 -0.98 . . . . 0.0 110.525 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.25 -44.19 53.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.904 -1.122 . . . . 0.0 110.174 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.18 -0.95 . . . . 0.0 109.636 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.15 -35.09 77.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 109.762 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -86.88 -12.84 46.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.027 -1.046 . . . . 0.0 109.688 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 58.93 -139.48 0.75 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.18 0.44 51.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.27 -0.894 . . . . 0.0 110.21 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 82.66 6.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -71.52 -23.86 61.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 109.401 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.04 -40.13 88.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.962 . . . . 0.0 110.178 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.76 92.42 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.038 -1.039 . . . . 0.0 108.558 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.2 ttm -60.09 -46.15 90.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.8 . . . . 0.0 109.192 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.55 -39.99 85.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.486 -0.759 . . . . 0.0 109.793 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -67.6 -40.02 84.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 110.697 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -98.72 0.62 44.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.281 -0.887 . . . . 0.0 109.277 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.5 m-20 52.84 41.46 31.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.774 . . . . 0.0 110.316 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 44.8 mt -108.58 151.72 41.78 Favored Pre-proline 0 N--CA 1.501 2.095 0 O-C-N 121.282 -0.886 . . . . 0.0 109.414 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.2 152.76 56.45 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.86 1.706 . . . . 0.0 111.734 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -42.49 -23.33 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.236 1.957 . . . . 0.0 112.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.041 -1.037 . . . . 0.0 110.223 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.69 -43.15 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 110.767 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.41 77.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.93 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.34 -40.09 92.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.116 -0.99 . . . . 0.0 109.607 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.23 -39.98 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.062 -1.024 . . . . 0.0 108.452 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.69 -40.21 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -63.03 -16.25 59.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.628 -0.67 . . . . 0.0 109.883 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -95.05 -37.61 11.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.094 -1.004 . . . . 0.0 109.81 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.1 133.03 55.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.094 -1.004 . . . . 0.0 108.889 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.34 -28.64 47.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.161 -0.962 . . . . 0.0 109.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.6 64.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 110.457 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.37 2.19 51.1 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.993 -1.067 . . . . 0.0 110.483 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.04 -70.07 0.51 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 109.348 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.3 -1.555 0 O-C-N 121.445 -0.784 . . . . 0.0 109.899 -179.189 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.18 137.92 38.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 5' ' ' ILE . 64.2 t0 -59.99 -38.38 82.43 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 -9.58 0.22 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' B' ' 3' ' ' ASP . 25.6 mt -58.29 -34.47 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.331 -1.099 . . . . 0.0 108.584 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -59.89 -39.69 86.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 0.0 108.86 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.28 -37.38 80.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.429 -0.794 . . . . 0.0 109.495 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.04 72.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.521 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.985 -1.072 . . . . 0.0 109.724 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.91 -40.07 91.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.283 -0.886 . . . . 0.0 110.443 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -94.94 2.41 55.38 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.094 -1.004 . . . . 0.0 110.682 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.4 -44.06 54.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 110.232 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -0.92 . . . . 0.0 109.644 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.17 -34.92 77.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.704 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -87.05 -12.86 46.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.971 -1.081 . . . . 0.0 109.703 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 58.96 -139.57 0.74 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.391 -0.818 . . . . 0.0 110.068 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.04 0.24 52.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.91 82.79 5.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.089 . . . . 0.0 109.817 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -71.51 -23.96 61.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.88 -40.15 87.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.042 -1.036 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.8 92.62 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 108.625 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.506 ' SD ' HD12 ' B' ' 36' ' ' ILE . 34.1 ttm -60.02 -46.0 90.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.47 -0.769 . . . . 0.0 109.345 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.78 -39.98 86.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.65 -39.93 84.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 110.726 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.0 -39.96 75.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -0.922 . . . . 0.0 110.335 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -98.78 0.55 44.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 0.0 109.229 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 91.6 m-20 52.96 41.36 32.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.768 . . . . 0.0 110.354 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 44.9 mt -108.54 151.55 41.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.12 152.79 56.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.792 1.661 . . . . 0.0 111.634 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.41 -23.37 0.29 Allowed 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.221 1.948 . . . . 0.0 112.734 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -50.0 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.043 -1.036 . . . . 0.0 110.305 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -42.91 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.948 -1.095 . . . . 0.0 110.795 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.187 -0.946 . . . . 0.0 109.983 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.21 -40.03 92.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.595 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.24 -40.18 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.017 -1.052 . . . . 0.0 108.458 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -62.95 -16.35 59.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.654 -0.654 . . . . 0.0 109.852 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -94.93 -37.79 11.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.994 -1.066 . . . . 0.0 109.827 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.96 133.12 55.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.133 -0.98 . . . . 0.0 108.81 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.48 -28.62 46.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.096 -1.002 . . . . 0.0 109.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.59 64.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 110.507 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.29 2.05 51.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.083 -1.011 . . . . 0.0 110.52 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.465 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.1 tp60 -77.99 -70.02 0.51 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.914 -1.116 . . . . 0.0 109.409 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.451 -0.78 . . . . 0.0 109.909 -179.27 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.68 0.752 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.66 143.08 31.24 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.586 0.708 . . . . 0.0 110.644 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 67.0 t0 -60.0 -39.32 85.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.63 -13.31 0.16 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.5 mt -59.9 -39.77 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.285 -1.127 . . . . 0.0 108.222 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -39.96 87.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.79 -39.99 95.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.692 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.55 -41.98 95.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.102 -0.999 . . . . 0.0 110.448 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.74 -40.01 93.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.0 110.112 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -95.55 7.75 45.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.328 -0.858 . . . . 0.0 110.42 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -50.6 -44.92 57.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.893 -1.129 . . . . 0.0 109.383 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.98 -37.39 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.42 -39.43 87.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.0 110.191 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -84.35 -17.87 38.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.003 -1.061 . . . . 0.0 109.773 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m80 58.04 -126.58 1.58 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.427 -0.795 . . . . 0.0 110.714 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 t -86.79 -3.68 59.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.423 -0.798 . . . . 0.0 110.829 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.07 72.42 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.793 -1.192 . . . . 0.0 109.736 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -69.91 -25.31 63.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.088 -1.007 . . . . 0.0 108.471 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.17 -40.17 88.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.795 . . . . 0.0 109.662 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.89 92.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 109.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 36' ' ' ILE . 27.7 ttm -59.94 -47.03 87.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.869 . . . . 0.0 109.706 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -59.74 -41.51 91.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.99 -1.069 . . . . 0.0 109.451 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 m -64.78 -37.2 86.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 0.0 110.073 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 110.169 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -98.45 0.07 44.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.281 -0.887 . . . . 0.0 109.395 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.2 m-20 54.69 45.57 26.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.493 -0.754 . . . . 0.0 110.59 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.615 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.6 mt -118.36 150.01 47.02 Favored Pre-proline 0 N--CA 1.501 2.119 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.7 Cg_endo -70.53 157.43 58.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.982 1.788 . . . . 0.0 112.202 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -42.08 -21.47 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.59 2.193 . . . . 0.0 112.794 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.97 -50.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.94 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -75.33 -43.0 43.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 110.307 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.02 83.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.038 -1.039 . . . . 0.0 109.714 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.0 -40.05 87.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.244 -0.91 . . . . 0.0 109.11 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.21 -40.01 96.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.091 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.98 -40.35 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.968 -1.083 . . . . 0.0 108.301 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.45 -19.32 63.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.7 -0.625 . . . . 0.0 110.256 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -95.36 -34.07 12.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.088 -1.008 . . . . 0.0 110.247 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.95 136.41 58.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.955 -1.09 . . . . 0.0 109.044 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.88 -39.99 61.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.938 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.79 -39.99 72.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.043 -1.036 . . . . 0.0 111.656 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.27 0.43 41.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.739 -1.226 . . . . 0.0 110.438 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.54 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.3 tp-100 -78.9 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 109.547 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 -179.623 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.57 143.01 31.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.493 0.663 . . . . 0.0 110.607 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' B' ' 5' ' ' ILE . 66.7 t0 -59.99 -39.19 84.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 -13.13 0.17 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.6 mt -59.93 -39.87 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.298 -1.119 . . . . 0.0 108.101 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.86 -39.93 95.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.55 -0.719 . . . . 0.0 109.656 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.8 71.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.08 -1.013 . . . . 0.0 109.667 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.48 -42.05 95.47 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.01 -1.057 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.63 -39.98 93.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -95.6 7.75 45.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.314 -0.866 . . . . 0.0 110.508 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -50.55 -44.91 56.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.85 -1.156 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.02 -37.35 79.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.58 -39.31 87.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.227 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -84.29 -17.95 37.95 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.97 -1.081 . . . . 0.0 109.785 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.96 -126.67 1.6 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.502 -0.749 . . . . 0.0 110.755 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -86.76 -3.61 59.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.06 72.65 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.817 -1.177 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -70.03 -25.44 63.57 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.151 -0.968 . . . . 0.0 108.441 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.07 88.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.833 . . . . 0.0 109.726 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.92 92.36 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.386 -0.822 . . . . 0.0 109.099 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.415 ' SD ' HD12 ' B' ' 36' ' ' ILE . 27.8 ttm -60.0 -47.05 87.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 0.0 109.564 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.56 -41.71 90.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.976 -1.077 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -64.77 -37.1 86.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.04 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.25 -40.1 78.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.164 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -98.6 0.13 44.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.258 -0.901 . . . . 0.0 109.401 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 80.9 m-20 54.72 45.59 26.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.565 -0.709 . . . . 0.0 110.501 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.619 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.5 mt -118.41 150.01 47.09 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.8 Cg_endo -70.6 157.33 59.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.073 1.849 . . . . 0.0 112.213 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.92 -21.77 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.672 2.248 . . . . 0.0 112.919 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.0 t -59.98 -49.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.192 -0.943 . . . . 0.0 110.949 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.28 -43.03 43.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.95 -1.094 . . . . 0.0 110.242 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.96 83.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 109.799 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -59.96 -40.04 87.68 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.134 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -63.4 -39.99 96.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 0.0 110.118 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.415 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.83 -40.47 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.013 -1.054 . . . . 0.0 108.353 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.57 -39.98 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -18.87 63.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.763 -0.585 . . . . 0.0 110.293 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -95.51 -34.15 12.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.938 -1.101 . . . . 0.0 110.256 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.73 136.63 58.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.946 -1.096 . . . . 0.0 108.97 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -75.23 -39.94 59.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 110.919 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.73 -39.97 73.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.111 -0.993 . . . . 0.0 111.764 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -82.25 0.55 40.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.776 -1.203 . . . . 0.0 110.248 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.54 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.9 tp60 -79.1 -69.94 0.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.107 -0.996 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.681 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.16 143.01 32.51 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.643 0.735 . . . . 0.0 111.294 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.9 m-20 -59.98 -38.32 82.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.37 -13.9 0.16 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.9 mt -60.04 -37.96 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -1.044 . . . . 0.0 108.663 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.01 -39.28 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.261 -0.9 . . . . 0.0 109.158 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.31 -36.83 78.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.059 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.44 77.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 110.079 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -60.0 -41.07 91.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.115 . . . . 0.0 109.553 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.41 -40.08 89.68 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.283 -0.886 . . . . 0.0 109.517 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -96.63 5.38 50.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 111.162 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.88 -41.09 32.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.622 -1.299 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.04 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.334 -0.854 . . . . 0.0 109.171 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.58 -37.67 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.85 . . . . 0.0 110.013 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.14 -20.02 30.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.916 -1.115 . . . . 0.0 109.527 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m80 58.22 -138.27 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.486 -0.759 . . . . 0.0 110.349 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -0.89 53.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.391 -0.818 . . . . 0.0 109.821 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.67 76.78 8.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 0.0 108.969 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.05 -26.32 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.217 -0.927 . . . . 0.0 109.639 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.45 -42.17 95.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.152 -0.968 . . . . 0.0 110.371 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.44 79.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.12 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.0 ttp -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.358 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.4 -39.69 80.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.973 -1.08 . . . . 0.0 109.529 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 t -66.91 -38.44 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.55 -39.92 77.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.061 -1.024 . . . . 0.0 109.961 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.6 -5.73 45.13 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.124 -0.985 . . . . 0.0 109.075 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.1 m-20 52.96 43.1 32.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.392 -0.817 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -109.28 127.7 26.75 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.28 -0.888 . . . . 0.0 109.573 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.3 Cg_exo -44.64 145.46 2.71 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.663 1.575 . . . . 0.0 112.113 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.94 -20.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.631 2.221 . . . . 0.0 113.534 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.5 t -59.92 -50.49 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.85 -1.156 . . . . 0.0 110.565 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.41 -42.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.02 -1.05 . . . . 0.0 110.441 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -51.15 70.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.15 -39.95 88.17 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -60.04 -43.55 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.828 . . . . 0.0 110.218 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.41 -47.92 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.966 -1.084 . . . . 0.0 108.594 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.24 -46.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.217 -0.927 . . . . 0.0 108.807 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -62.28 -20.15 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.586 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -95.61 -31.54 13.23 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.1 -1.0 . . . . 0.0 109.417 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.83 133.44 56.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.133 -0.979 . . . . 0.0 108.511 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.14 -29.76 54.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.751 -1.218 . . . . 0.0 110.659 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.01 -46.74 27.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 111.176 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.17 -22.66 38.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.959 -1.088 . . . . 0.0 111.531 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.5 tt0 -69.56 -58.18 4.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.771 -1.206 . . . . 0.0 110.016 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 C--N 1.3 -1.559 0 O-C-N 121.06 -1.025 . . . . 0.0 108.537 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.15 142.99 32.53 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.689 0.757 . . . . 0.0 111.275 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.56 -13.91 0.18 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' B' ' 3' ' ' ASP . 46.4 mt -59.95 -38.12 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.47 -1.018 . . . . 0.0 108.655 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.04 -39.25 85.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.37 -0.831 . . . . 0.0 109.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.16 -36.97 78.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 0.0 109.029 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.47 77.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.0 110.098 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.94 -41.04 90.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.823 -1.173 . . . . 0.0 109.519 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.51 -39.99 89.79 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.499 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -96.64 5.41 50.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 111.165 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.98 -41.05 32.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.303 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.03 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.212 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.45 -37.83 84.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 110.068 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.91 -20.22 31.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.048 . . . . 0.0 109.551 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.7 m80 58.24 -138.69 0.83 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.404 -0.81 . . . . 0.0 110.302 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -83.32 -1.01 52.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.501 -0.749 . . . . 0.0 109.915 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.66 76.88 8.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.049 -1.032 . . . . 0.0 109.013 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.09 -26.71 64.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.292 -0.88 . . . . 0.0 109.606 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.11 79.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.022 -1.049 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -60.98 -43.62 98.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.37 -39.84 80.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.0 -1.062 . . . . 0.0 109.575 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.3 t -66.8 -38.14 85.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 0.0 110.091 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.85 -39.94 76.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.065 . . . . 0.0 109.914 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.68 -5.76 44.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.107 -0.996 . . . . 0.0 109.081 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.0 m-20 53.02 43.09 32.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.356 -0.84 . . . . 0.0 110.601 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.32 127.67 26.8 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.304 -0.873 . . . . 0.0 109.587 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 98.6 Cg_exo -44.71 145.57 2.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.578 1.519 . . . . 0.0 112.102 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -39.04 -20.55 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.649 2.232 . . . . 0.0 113.607 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.8 t -59.98 -50.41 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.148 . . . . 0.0 110.624 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.51 -42.38 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.999 -1.063 . . . . 0.0 110.397 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.91 71.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.001 -1.062 . . . . 0.0 109.416 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -60.28 -40.06 89.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.482 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -60.02 -43.36 95.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.259 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.53 -47.87 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.897 -1.127 . . . . 0.0 108.603 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -46.34 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.237 -0.915 . . . . 0.0 108.841 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -62.14 -20.3 63.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.808 . . . . 0.0 109.483 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -95.33 -31.59 13.36 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.084 -1.01 . . . . 0.0 109.437 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -58.88 133.28 55.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.154 -0.966 . . . . 0.0 108.546 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.05 -29.48 55.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.772 -1.205 . . . . 0.0 110.688 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -76.17 -46.68 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.994 -1.066 . . . . 0.0 111.157 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.2 m -81.26 -22.4 38.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.925 -1.109 . . . . 0.0 111.57 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.81 -58.22 4.15 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.722 -1.236 . . . . 0.0 110.056 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.603 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.62 142.72 27.12 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.607 0.718 . . . . 0.0 110.766 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.2 t0 -60.04 -40.0 87.88 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.94 -18.14 0.12 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.124 -1.591 . . . . 0.0 109.124 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.7 mt -59.96 -40.16 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.432 -1.04 . . . . 0.0 108.864 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -65.58 -39.28 91.45 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.69 77.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.549 -0.719 . . . . 0.0 110.004 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.1 -41.04 91.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.98 -1.075 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -39.98 92.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -0.836 . . . . 0.0 109.607 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.25 9.81 38.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.484 -0.76 . . . . 0.0 111.005 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -50.12 -41.36 48.49 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.789 -1.195 . . . . 0.0 108.91 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.02 -36.73 80.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 109.634 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.08 -40.03 88.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.4 -0.813 . . . . 0.0 110.331 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.13 -17.93 33.67 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.84 -1.163 . . . . 0.0 109.79 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.2 m80 56.71 -127.01 1.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.527 -0.733 . . . . 0.0 109.913 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.5 m -86.0 -8.78 57.72 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.04 74.94 6.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.835 -1.166 . . . . 0.0 109.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -69.97 -26.94 64.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.497 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.02 90.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.37 -0.832 . . . . 0.0 110.424 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.9 89.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.258 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.92 -42.44 99.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.408 -0.807 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.04 -40.06 76.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.213 -0.93 . . . . 0.0 109.196 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.56 -35.86 79.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.417 -0.802 . . . . 0.0 109.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.02 -43.08 72.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 109.597 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.29 -0.3 53.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.402 -0.811 . . . . 0.0 109.605 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.1 50.07 18.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.294 -0.879 . . . . 0.0 110.498 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.26 151.07 47.41 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.535 -0.728 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.56 151.06 52.35 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.175 1.917 . . . . 0.0 111.312 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -41.29 -24.17 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.279 1.986 . . . . 0.0 113.217 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.97 -57.03 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.006 -1.059 . . . . 0.0 110.484 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.04 -40.0 77.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 110.517 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.957 -1.089 . . . . 0.0 109.246 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 109.934 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.74 -40.81 93.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.534 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -41.2 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.885 -1.134 . . . . 0.0 108.366 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.63 -39.94 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.54 -23.82 59.2 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.658 -0.651 . . . . 0.0 110.323 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 m -95.14 -30.8 13.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.919 -1.113 . . . . 0.0 109.63 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.76 129.29 41.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -74.52 -39.27 62.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.04 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.1 -39.93 75.22 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.958 -1.089 . . . . 0.0 110.73 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.2 m -84.66 5.73 26.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.771 -1.206 . . . . 0.0 110.094 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -77.46 -69.98 0.5 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.054 -1.029 . . . . 0.0 109.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.74 142.76 27.09 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.644 0.735 . . . . 0.0 110.776 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.3 t0 -60.04 -39.9 87.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.85 -18.23 0.12 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.6 mt -60.12 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.496 -1.003 . . . . 0.0 108.944 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.55 -39.16 91.41 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.87 77.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.535 -0.728 . . . . 0.0 110.051 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.94 -41.19 91.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.135 -0.978 . . . . 0.0 109.31 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.26 -40.14 92.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.335 -0.853 . . . . 0.0 109.606 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.15 9.57 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.449 -0.782 . . . . 0.0 110.974 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -49.92 -41.3 45.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.806 -1.184 . . . . 0.0 108.959 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.11 -36.99 81.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.472 -0.767 . . . . 0.0 109.464 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.368 -0.832 . . . . 0.0 110.338 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -86.19 -17.9 33.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.755 -1.216 . . . . 0.0 109.66 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 56.73 -126.86 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.501 -0.749 . . . . 0.0 109.98 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 m -86.21 -8.74 57.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.636 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.13 75.08 6.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -70.05 -27.02 64.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.511 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.17 89.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.01 89.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.021 . . . . 0.0 109.317 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.83 -42.46 99.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 109.6 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.99 -40.09 75.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.946 . . . . 0.0 109.236 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -67.57 -36.05 80.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.46 -0.775 . . . . 0.0 109.718 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -69.88 -43.11 72.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.223 -0.923 . . . . 0.0 109.68 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.18 -0.36 53.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.323 -0.861 . . . . 0.0 109.671 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.4 m120 53.3 50.0 18.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.283 -0.886 . . . . 0.0 110.42 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.32 151.07 47.49 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.512 -0.742 . . . . 0.0 109.295 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -72.75 151.24 51.42 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.122 1.882 . . . . 0.0 111.268 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.35 -24.0 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.28 1.987 . . . . 0.0 113.255 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.15 -56.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.944 -1.097 . . . . 0.0 110.483 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -39.89 77.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.442 -0.786 . . . . 0.0 110.554 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.73 76.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.853 -1.154 . . . . 0.0 109.228 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.04 -39.92 87.58 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 109.921 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.82 -40.59 93.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.25 -41.34 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.93 -1.106 . . . . 0.0 108.274 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -67.42 -40.01 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.94 59.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.601 -0.687 . . . . 0.0 110.24 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.1 m -95.02 -30.72 13.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.998 -1.064 . . . . 0.0 109.739 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.2 t -59.84 129.28 41.09 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.083 -1.011 . . . . 0.0 108.571 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -74.3 -39.57 62.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.891 . . . . 0.0 111.048 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.02 -39.93 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.859 -1.151 . . . . 0.0 110.854 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -84.57 5.62 27.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.798 -1.189 . . . . 0.0 110.084 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -77.45 -69.94 0.5 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.064 . . . . 0.0 109.097 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.459 -0.775 . . . . 0.0 109.732 -179.597 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.667 0.746 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -98.43 142.01 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.64 . . . . 0.0 110.612 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.03 -40.01 87.84 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.84 -16.61 0.22 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 80.5 mt -60.48 -40.41 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.345 -1.091 . . . . 0.0 108.647 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.95 -39.99 91.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.94 -39.72 94.81 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' CYS . . . -59.68 -31.97 70.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.523 -0.735 . . . . 0.0 109.746 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -59.98 -49.84 76.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.75 -38.5 85.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.453 -0.779 . . . . 0.0 109.648 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.01 -2.3 58.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.281 -0.887 . . . . 0.0 109.89 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' ALA . 46.4 t -50.83 -36.3 36.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.885 -1.134 . . . . 0.0 109.627 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.5 tt0 -60.13 -39.95 88.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 110.143 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.68 -39.99 90.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.514 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -85.75 -24.16 27.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.855 -1.153 . . . . 0.0 109.795 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 66.6 m80 56.51 -119.14 1.27 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.487 -0.758 . . . . 0.0 109.993 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.46 -8.61 56.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.841 . . . . 0.0 110.501 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -78.94 68.2 4.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.942 -1.099 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.01 -25.42 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 109.337 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.31 -41.31 93.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 0.0 109.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.88 77.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.213 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.1 ttp -62.16 -42.2 99.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.832 . . . . 0.0 109.718 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.08 83.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.078 -1.013 . . . . 0.0 108.718 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 m -67.14 -37.34 83.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.552 -0.717 . . . . 0.0 110.105 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.63 -40.02 76.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.011 -1.055 . . . . 0.0 110.151 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -95.24 0.6 54.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.152 -0.968 . . . . 0.0 109.03 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 51.91 49.87 19.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -115.36 154.82 47.58 Favored Pre-proline 0 N--CA 1.501 2.085 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_endo -76.09 149.26 32.18 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.498 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -39.06 -25.81 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.53 2.153 . . . . 0.0 113.4 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -59.91 -50.24 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.97 -1.081 . . . . 0.0 110.743 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.61 -39.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.008 -1.058 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.25 66.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.242 -0.911 . . . . 0.0 109.267 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 109.384 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.73 -40.16 91.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 110.396 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.92 -41.09 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.006 -1.059 . . . . 0.0 108.861 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.82 -38.71 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.03 -22.12 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.782 -0.573 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.6 m -91.44 -33.31 15.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.891 -1.131 . . . . 0.0 109.358 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.38 -26.29 46.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.149 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.52 -39.99 67.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.984 -1.072 . . . . 0.0 110.068 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.3 m -81.34 -6.94 59.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 109.855 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.5 tp-100 -78.86 -70.1 0.52 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 109.639 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.235 -0.915 . . . . 0.0 109.791 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.66 0.743 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.39 142.04 30.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.556 -0.715 . . . . 0.0 110.663 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.2 m-20 -60.12 -39.96 88.08 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -16.59 0.22 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 80.3 mt -60.31 -40.35 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.256 -1.144 . . . . 0.0 108.703 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.11 -39.96 91.95 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.83 -39.8 95.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 12' ' ' CYS . . . -59.65 -31.78 69.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.366 -0.834 . . . . 0.0 109.795 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.1 -49.76 76.39 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.84 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.73 -38.45 85.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 0.0 109.766 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -89.18 -2.44 58.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 109.806 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' B' ' 8' ' ' ALA . 47.0 t -50.7 -36.32 35.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.846 -1.159 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.6 -40.03 90.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -0.972 . . . . 0.0 110.398 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -85.89 -24.09 26.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.919 -1.113 . . . . 0.0 109.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 66.5 m80 56.5 -119.25 1.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.457 -0.777 . . . . 0.0 109.954 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.31 -8.65 56.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.333 -0.854 . . . . 0.0 110.532 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.91 68.1 4.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.986 -1.071 . . . . 0.0 109.849 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.0 -25.53 63.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.262 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -41.29 93.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 0.0 109.565 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.97 77.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 0.0 109.273 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.99 -42.18 98.86 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.65 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.01 83.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.995 -1.065 . . . . 0.0 108.742 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -67.25 -37.27 83.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.606 -0.684 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.67 -39.97 76.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.025 -1.047 . . . . 0.0 110.207 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -95.27 0.5 53.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -1.0 . . . . 0.0 108.929 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 51.92 49.94 19.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt -115.5 154.68 47.76 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.498 -0.751 . . . . 0.0 109.049 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.96 149.29 32.74 Favored 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.86 1.707 . . . . 0.0 111.453 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -38.99 -25.96 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.584 2.189 . . . . 0.0 113.386 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -50.17 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.896 -1.128 . . . . 0.0 110.79 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.51 -39.43 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.074 -1.016 . . . . 0.0 109.974 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.1 66.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.281 -0.887 . . . . 0.0 109.152 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.18 -40.03 88.54 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.352 -0.843 . . . . 0.0 109.322 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.64 -40.29 91.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.468 -0.77 . . . . 0.0 110.398 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.955 -1.09 . . . . 0.0 108.814 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.99 -38.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.04 -22.07 62.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.911 -0.493 . . . . 0.0 110.527 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.0 m -91.3 -33.09 15.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.914 -1.117 . . . . 0.0 109.365 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.96 131.61 51.4 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.31 -26.53 46.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.0 110.011 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.48 -40.12 67.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.029 -1.044 . . . . 0.0 109.909 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -81.26 -6.64 59.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.205 -0.935 . . . . 0.0 109.879 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tp-100 -79.12 -69.98 0.54 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.76 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.569 -179.812 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.48 145.05 25.47 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.801 0.81 . . . . 0.0 110.854 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.7 m-20 -60.07 -39.94 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.26 -15.4 0.41 Allowed Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.21 -41.5 87.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.069 -1.253 . . . . 0.0 108.673 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.18 -40.05 88.63 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.81 92.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.36 75.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 109.673 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -43.53 95.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.79 -39.9 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.846 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.19 1.05 57.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.369 -0.832 . . . . 0.0 110.417 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -40.92 35.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.781 -1.2 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -38.35 82.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.436 -0.79 . . . . 0.0 109.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.45 -39.75 94.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.275 -0.891 . . . . 0.0 109.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.14 -19.21 28.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.076 -1.015 . . . . 0.0 109.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 57.64 -133.03 1.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.552 -0.717 . . . . 0.0 110.492 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.6 p -82.25 -8.27 59.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.568 -0.708 . . . . 0.0 110.845 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.07 78.07 4.56 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.656 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.03 -26.14 63.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.492 -0.755 . . . . 0.0 109.277 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.18 -40.37 93.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.12 79.86 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.187 -0.946 . . . . 0.0 109.489 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.61 -41.35 98.94 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.238 -0.914 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -40.4 88.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 109.148 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m -65.7 -38.9 90.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.421 -0.8 . . . . 0.0 109.759 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -68.61 -45.75 71.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -92.57 -0.87 57.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.348 -0.845 . . . . 0.0 109.213 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.3 m120 51.79 49.79 20.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 0.0 110.482 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.14 153.59 46.29 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.508 -0.745 . . . . 0.0 109.426 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' VAL . 86.2 Cg_endo -78.46 151.14 25.59 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.249 1.966 . . . . 0.0 111.366 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -38.03 -22.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.357 2.038 . . . . 0.0 113.324 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' PRO . 62.6 t -59.51 -61.39 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.856 -1.152 . . . . 0.0 110.105 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.99 -40.15 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.45 -0.781 . . . . 0.0 110.672 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.04 79.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.698 -1.251 . . . . 0.0 109.326 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -60.58 -39.96 89.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.175 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.13 -42.11 94.1 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.2 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.14 -40.25 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.932 -1.105 . . . . 0.0 108.206 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.12 -40.0 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.72 27.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.684 -0.635 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -92.01 -45.61 8.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.96 130.12 45.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.283 -0.886 . . . . 0.0 108.74 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -79.73 -27.25 40.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.012 -1.055 . . . . 0.0 110.019 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.08 -45.35 49.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.994 -1.066 . . . . 0.0 110.564 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 71.7 m -79.87 -29.97 40.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.149 -0.969 . . . . 0.0 110.773 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.2 -56.05 6.87 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.937 -1.102 . . . . 0.0 111.089 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.161 -0.962 . . . . 0.0 110.234 -178.206 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.422 0.629 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -95.29 144.97 25.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.87 . . . . 0.0 110.927 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.5 m-20 -60.02 -39.93 87.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -14.94 0.41 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.9 mt -60.63 -41.38 87.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.127 -1.22 . . . . 0.0 108.593 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -40.09 88.91 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.61 91.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.499 -0.751 . . . . 0.0 109.033 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.25 75.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.03 -43.59 95.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.901 -1.125 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.67 -39.97 93.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.429 -0.795 . . . . 0.0 109.768 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.41 1.27 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.36 -40.96 37.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.874 -1.141 . . . . 0.0 109.444 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.17 -37.98 81.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.7 -39.78 95.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.837 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -87.06 -19.21 28.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.104 -0.998 . . . . 0.0 109.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 57.45 -133.05 1.29 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.57 0.7 . . . . 0.0 110.502 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -82.08 -8.39 59.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.576 -0.703 . . . . 0.0 110.818 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -77.95 77.94 4.45 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -26.01 63.81 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.476 -0.765 . . . . 0.0 109.339 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.15 -40.46 93.93 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.08 79.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.218 -0.926 . . . . 0.0 109.549 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.62 -41.4 98.98 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.93 -40.41 88.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.073 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.65 -38.87 90.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -68.72 -45.65 70.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.687 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.65 -0.82 57.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.415 -0.803 . . . . 0.0 109.309 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.3 m120 51.73 49.83 20.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.388 -0.82 . . . . 0.0 110.584 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.21 153.66 46.35 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 121.511 -0.743 . . . . 0.0 109.343 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' B' ' 31' ' ' VAL . 87.9 Cg_endo -78.42 151.34 25.89 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.233 1.955 . . . . 0.0 111.447 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -38.24 -22.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.429 2.086 . . . . 0.0 113.268 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.8 t -59.66 -61.4 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.81 -1.181 . . . . 0.0 110.072 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.95 -40.03 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.48 -0.763 . . . . 0.0 110.709 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.29 78.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.691 -1.255 . . . . 0.0 109.206 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.369 -0.832 . . . . 0.0 109.194 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.99 -42.32 93.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.335 -0.853 . . . . 0.0 110.34 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.9 -40.31 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.948 -1.095 . . . . 0.0 108.18 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.14 -40.0 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.9 27.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.709 -0.619 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.2 m -91.91 -45.47 8.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.96 130.11 45.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.34 -0.85 . . . . 0.0 108.898 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.69 -27.27 40.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.091 -1.005 . . . . 0.0 110.061 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.03 -45.4 49.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.038 . . . . 0.0 110.632 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.87 -30.04 40.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.025 -1.047 . . . . 0.0 110.806 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.33 -55.61 7.67 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.929 -1.107 . . . . 0.0 111.208 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.109 -0.994 . . . . 0.0 110.258 -178.431 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.32 143.36 29.66 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.568 0.699 . . . . 0.0 110.696 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.2 t0 -59.97 -38.79 83.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -16.12 0.4 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' ASP . 72.1 mt -60.13 -41.42 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 0.0 108.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.32 -40.04 89.15 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -61.54 -39.29 90.55 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.586 -0.696 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.31 -39.88 84.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.05 -43.97 95.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.744 -1.223 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.89 -39.94 93.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.521 -0.737 . . . . 0.0 110.131 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.04 8.68 38.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 110.135 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -51.03 -40.34 58.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.048 -1.033 . . . . 0.0 109.197 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.6 -39.86 89.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.403 -0.811 . . . . 0.0 110.214 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -62.03 -40.04 94.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.005 -1.059 . . . . 0.0 109.606 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.62 -15.47 34.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.136 -0.977 . . . . 0.0 109.075 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.7 m80 57.81 -137.09 0.94 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.62 -0.675 . . . . 0.0 109.714 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -85.97 -0.13 54.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.35 76.9 8.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.008 -1.058 . . . . 0.0 109.48 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.02 -26.33 64.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.119 -0.988 . . . . 0.0 109.666 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.14 -40.77 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 110.1 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.05 79.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.962 . . . . 0.0 108.8 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.493 ' C ' ' SD ' ' A' ' 22' ' ' MET . 15.4 tmm? -60.13 -47.57 85.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.555 -0.716 . . . . 0.0 109.106 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -55.47 -39.6 70.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.111 -0.993 . . . . 0.0 109.438 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -65.29 -40.0 93.29 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.692 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.07 -40.02 75.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.229 -0.919 . . . . 0.0 110.229 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -95.66 -0.42 51.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.075 -1.015 . . . . 0.0 109.243 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-20 50.28 43.63 26.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.116 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -106.94 121.49 44.69 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.397 -0.815 . . . . 0.0 109.903 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.5 Cg_exo -44.42 145.31 2.58 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.672 1.581 . . . . 0.0 111.284 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.69 -21.42 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.072 1.848 . . . . 0.0 113.396 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -58.49 -57.8 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.809 -1.182 . . . . 0.0 110.337 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.98 -40.8 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 0.0 110.044 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.59 72.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.774 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -59.97 -39.04 84.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.57 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.405 -0.81 . . . . 0.0 110.62 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.2 -40.28 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.839 -1.163 . . . . 0.0 108.941 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.7 -40.09 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.41 -21.97 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.693 . . . . 0.0 110.278 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -91.96 -38.64 12.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.998 -1.063 . . . . 0.0 109.732 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.9 132.69 54.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.664 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.88 -30.69 40.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 0.0 110.488 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -71.96 -40.38 68.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.971 . . . . 0.0 110.284 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -86.3 7.39 25.59 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.09 -1.006 . . . . 0.0 109.756 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.99 -70.0 0.53 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.0 109.833 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.839 . . . . 0.0 109.409 -179.294 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.406 HD12 HD21 ' B' ' 28' ' ' LEU . 81.2 mt -99.45 143.57 29.55 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.601 -0.687 . . . . 0.0 110.623 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 5' ' ' ILE . 37.2 t0 -60.01 -38.53 82.94 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.31 -15.89 0.47 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' B' ' 3' ' ' ASP . 72.4 mt -60.19 -41.64 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.213 -1.169 . . . . 0.0 108.62 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.08 -40.02 88.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.71 -38.81 89.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.511 -0.743 . . . . 0.0 109.222 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.81 86.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 0.0 110.342 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.05 -44.05 94.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.683 -1.261 . . . . 0.0 109.203 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.9 -40.01 93.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.538 -0.726 . . . . 0.0 109.991 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.12 8.63 39.31 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.147 -0.971 . . . . 0.0 110.105 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 47.8 t -50.83 -40.16 55.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.263 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.81 -39.93 90.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 0.0 110.214 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.88 -39.99 93.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.968 . . . . 0.0 109.6 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.61 -15.6 34.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.097 -1.002 . . . . 0.0 109.074 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 57.72 -137.2 0.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.649 -0.657 . . . . 0.0 109.707 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -85.75 -0.2 54.58 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.26 -0.9 . . . . 0.0 110.288 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.26 77.09 8.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.917 -1.115 . . . . 0.0 109.516 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -69.98 -26.61 64.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.94 91.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.007 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.97 79.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.496 ' C ' ' SD ' ' B' ' 22' ' ' MET . 15.3 tmm? -60.11 -47.43 85.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.468 -0.77 . . . . 0.0 109.025 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -55.62 -39.45 70.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.523 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -65.39 -40.05 92.99 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.331 -0.856 . . . . 0.0 109.678 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.98 -40.01 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.235 -0.916 . . . . 0.0 110.221 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -95.62 -0.48 51.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.142 -0.974 . . . . 0.0 109.297 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.3 m-20 50.35 43.45 26.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.923 . . . . 0.0 110.117 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 HD12 ' B' ' 2' ' ' LEU . 24.2 mt -106.93 121.48 44.73 Favored Pre-proline 0 N--CA 1.498 1.925 0 O-C-N 121.496 -0.753 . . . . 0.0 109.944 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 31' ' ' VAL . 99.0 Cg_exo -44.35 145.32 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.627 1.551 . . . . 0.0 111.234 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.76 -21.12 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.175 1.917 . . . . 0.0 113.294 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -58.57 -57.75 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.898 -1.126 . . . . 0.0 110.35 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -41.01 78.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.43 -0.794 . . . . 0.0 110.016 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.52 72.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.113 -0.992 . . . . 0.0 109.763 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.08 -39.02 84.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.433 -0.792 . . . . 0.0 110.558 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.96 -40.96 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.82 -1.175 . . . . 0.0 108.904 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.26 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 108.596 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.99 62.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 110.299 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.28 -38.51 12.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.639 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.95 132.78 55.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.029 -1.044 . . . . 0.0 108.579 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -80.11 -30.59 39.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.107 -0.995 . . . . 0.0 110.44 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -72.0 -40.66 68.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.03 -1.043 . . . . 0.0 110.23 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -86.12 7.53 24.5 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.107 -0.996 . . . . 0.0 109.678 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -79.19 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.267 -0.896 . . . . 0.0 109.824 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.359 -179.339 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.592 0.711 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 143.03 31.07 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.713 . . . . 0.0 110.771 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.5 m-20 -60.0 -39.38 85.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.39 -15.13 0.12 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.5 mt -60.06 -36.02 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.527 -0.984 . . . . 0.0 108.485 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.39 82.39 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 37.6 ttmt -62.71 -39.95 95.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.79 77.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.202 -0.936 . . . . 0.0 109.944 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.03 -40.54 89.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -40.34 90.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.408 -0.807 . . . . 0.0 110.581 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 31.2 mp0 -100.53 15.75 26.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -49.2 -43.88 42.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.9 -1.125 . . . . 0.0 109.4 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.3 -34.25 73.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.621 -0.675 . . . . 0.0 110.148 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -60.03 -39.22 85.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -85.3 -16.3 40.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.883 -1.136 . . . . 0.0 108.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.87 -132.9 1.41 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 109.986 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.9 p -83.19 -7.49 59.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.202 -0.936 . . . . 0.0 110.199 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.5 76.11 5.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.98 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -69.97 -23.65 63.2 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.395 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -39.98 89.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.99 92.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.948 . . . . 0.0 109.562 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.89 -42.36 98.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.67 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -66.22 -39.98 89.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 0.0 110.591 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.91 -40.08 75.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.014 -1.054 . . . . 0.0 110.316 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -96.79 -1.65 45.82 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.265 -0.897 . . . . 0.0 109.605 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.6 m120 53.49 43.64 30.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.209 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 mt -112.92 151.61 44.22 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.26 154.62 51.61 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.001 1.8 . . . . 0.0 112.362 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.01 -26.27 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.878 2.385 . . . . 0.0 113.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.88 -50.31 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 120.917 -1.114 . . . . 0.0 110.152 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.06 -41.89 52.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.032 -1.042 . . . . 0.0 110.431 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.53 68.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.861 -1.149 . . . . 0.0 109.808 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.29 -40.01 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.107 -0.995 . . . . 0.0 109.906 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.89 -40.05 91.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 0.0 110.271 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.03 -40.62 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.044 -1.035 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.98 -40.07 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.69 -17.73 25.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.742 -0.599 . . . . 0.0 110.067 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -91.67 -45.24 8.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.929 -1.107 . . . . 0.0 108.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.47 129.42 41.91 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.07 -33.95 50.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.913 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.958 -1.089 . . . . 0.0 110.891 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.0 m -77.91 -30.46 50.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.859 -1.15 . . . . 0.0 110.211 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -76.09 -64.19 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.054 -1.029 . . . . 0.0 108.827 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 0.0 109.038 179.575 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 74.3 mt -100.52 142.99 31.23 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.57 0.7 . . . . 0.0 110.82 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.2 m-20 -60.01 -39.25 85.18 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.35 -15.37 0.13 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.1 mt -59.9 -36.15 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -1.01 . . . . 0.0 108.49 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.42 82.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 37.5 ttmt -62.64 -40.04 95.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.401 -0.812 . . . . 0.0 109.247 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.86 77.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.99 -40.66 89.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.032 -1.043 . . . . 0.0 109.87 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -40.4 90.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.366 -0.834 . . . . 0.0 110.606 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 31.2 mp0 -100.47 15.58 27.44 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.24 -43.96 43.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.977 -1.077 . . . . 0.0 109.377 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.21 -34.32 73.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.58 -0.7 . . . . 0.0 110.226 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.99 -39.32 85.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.776 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -85.21 -16.27 40.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.976 -1.078 . . . . 0.0 108.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.93 -132.71 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.498 -0.752 . . . . 0.0 110.044 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -83.35 -7.51 59.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 110.186 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -78.54 76.26 5.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.916 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.6 p-90 -70.11 -23.7 63.08 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.282 -0.886 . . . . 0.0 109.293 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.24 -40.0 88.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.018 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.95 91.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.923 . . . . 0.0 109.52 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.84 -42.52 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.181 -0.949 . . . . 0.0 109.735 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -40.01 87.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 109.762 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -66.25 -39.9 89.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.337 -0.852 . . . . 0.0 110.661 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.96 -40.03 75.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.001 -1.062 . . . . 0.0 110.294 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.94 -1.63 45.34 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.23 -0.919 . . . . 0.0 109.564 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 53.4 43.83 30.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.05 151.67 44.34 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.24 154.54 51.64 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.056 1.837 . . . . 0.0 112.307 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -40.95 -26.31 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.889 2.392 . . . . 0.0 113.853 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.02 -49.91 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 110.278 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.37 -41.6 50.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.047 -1.033 . . . . 0.0 110.395 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.48 69.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.961 -1.087 . . . . 0.0 109.737 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.19 -40.06 88.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.026 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.0 -39.9 91.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.287 -0.883 . . . . 0.0 110.266 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.11 -40.44 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.041 -1.037 . . . . 0.0 108.404 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.06 -40.06 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.9 27.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 110.006 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -91.5 -45.11 8.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.979 -1.076 . . . . 0.0 108.684 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -59.64 129.42 41.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -77.93 -34.03 51.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 111.06 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.71 -42.86 70.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.993 -1.067 . . . . 0.0 110.951 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.6 m -78.14 -30.32 49.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.849 -1.157 . . . . 0.0 110.167 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -76.14 -64.38 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.083 -1.011 . . . . 0.0 108.864 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.016 179.486 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.88 140.81 30.11 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.723 0.773 . . . . 0.0 110.867 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.0 m-20 -60.02 -38.42 82.63 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 -14.37 0.41 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 66.7 mt -59.89 -39.38 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.509 -0.995 . . . . 0.0 108.951 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.02 -38.41 82.61 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -38.5 91.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.865 . . . . 0.0 108.878 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.85 71.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.07 -40.73 90.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.133 -0.979 . . . . 0.0 108.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -40.0 94.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.517 -0.739 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.24 0.06 57.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 110.331 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.98 -44.1 40.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.888 -1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.13 -38.11 82.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.289 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.4 -40.01 89.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.44 -14.14 44.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 109.245 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 59.04 -138.4 0.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.756 . . . . 0.0 110.292 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -80.77 -8.24 59.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.05 76.06 4.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.0 109.591 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.24 -25.14 63.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.469 -0.769 . . . . 0.0 109.39 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.29 -40.26 89.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.649 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.13 83.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.0 109.357 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.83 -40.0 94.48 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.263 -0.898 . . . . 0.0 109.511 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.31 93.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.979 -1.075 . . . . 0.0 109.72 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -64.41 -40.03 94.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.133 -0.979 . . . . 0.0 110.248 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.94 -40.01 75.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.014 . . . . 0.0 110.55 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -92.79 -0.74 57.21 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.923 -1.111 . . . . 0.0 109.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 52.12 48.22 23.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.574 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -116.98 151.21 47.19 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.477 -0.764 . . . . 0.0 109.149 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.92 154.29 53.2 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.066 1.844 . . . . 0.0 112.182 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.07 -27.59 1.04 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.488 2.125 . . . . 0.0 113.361 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -52.49 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.93 -1.106 . . . . 0.0 110.273 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.48 -40.11 63.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.751 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.47 69.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.158 -0.964 . . . . 0.0 109.713 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.013 . . . . 0.0 109.836 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.4 -40.01 92.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.356 -0.84 . . . . 0.0 110.488 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.59 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.52 -39.93 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.52 -20.74 48.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.874 -0.516 . . . . 0.0 109.96 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.1 m -96.59 -34.38 11.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.985 . . . . 0.0 109.555 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.39 132.4 53.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.148 -0.97 . . . . 0.0 108.907 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.216 -0.928 . . . . 0.0 111.465 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.992 -1.067 . . . . 0.0 110.587 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.3 2.09 41.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.857 -1.152 . . . . 0.0 109.91 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -76.66 -69.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.069 -1.019 . . . . 0.0 108.748 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.393 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.85 140.92 29.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.725 0.774 . . . . 0.0 110.897 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.8 m-20 -60.06 -38.54 83.11 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -14.47 0.39 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 3' ' ' ASP . 66.3 mt -60.04 -39.37 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.466 -1.02 . . . . 0.0 108.896 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.91 -38.45 82.36 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.08 -38.44 91.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 108.848 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.94 71.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -0.836 . . . . 0.0 109.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.01 -40.6 89.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.109 -0.995 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -39.96 94.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.458 -0.776 . . . . 0.0 110.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -90.18 -0.08 57.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.231 -0.918 . . . . 0.0 110.291 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -48.84 -44.21 39.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.998 -1.064 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.05 -38.22 82.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.418 -0.801 . . . . 0.0 109.24 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.39 -40.0 89.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.42 -13.98 44.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.151 -0.968 . . . . 0.0 109.314 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 58.97 -138.32 0.78 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.49 -0.756 . . . . 0.0 110.213 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -8.37 59.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.568 -0.707 . . . . 0.0 110.2 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 75.82 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.644 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.01 -25.08 63.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.805 . . . . 0.0 109.476 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.32 90.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.883 . . . . 0.0 109.619 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.03 83.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.97 -39.97 94.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.168 -0.958 . . . . 0.0 109.496 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.42 94.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.055 . . . . 0.0 109.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.3 m -64.4 -39.93 94.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.978 . . . . 0.0 110.486 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -92.92 -0.59 57.19 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.946 -1.096 . . . . 0.0 109.35 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 52.13 48.25 23.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.86 . . . . 0.0 110.581 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -117.0 151.18 47.16 Favored Pre-proline 0 N--CA 1.501 2.097 0 O-C-N 121.433 -0.792 . . . . 0.0 109.093 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.92 154.32 53.17 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.072 1.848 . . . . 0.0 112.12 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.03 -27.48 0.98 Allowed 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.48 2.12 . . . . 0.0 113.376 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -52.8 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.921 -1.112 . . . . 0.0 110.225 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.19 -40.12 65.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -51.43 69.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.27 -40.0 88.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 109.88 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.33 -40.05 92.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 0.0 110.47 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.0 -42.5 89.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 120.988 -1.07 . . . . 0.0 108.189 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.68 -39.95 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.88 48.7 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.697 -0.627 . . . . 0.0 109.971 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.4 m -96.44 -34.55 11.47 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.097 -1.002 . . . . 0.0 109.618 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.18 132.51 54.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.12 -0.987 . . . . 0.0 108.909 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.439 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -69.97 -40.04 75.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.914 -1.116 . . . . 0.0 110.566 -178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.21 1.98 42.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.889 -1.132 . . . . 0.0 109.818 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -76.6 -69.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.043 -1.036 . . . . 0.0 108.982 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.388 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.8 mt -97.25 142.39 29.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.804 0.812 . . . . 0.0 111.026 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 87.4 m-20 -60.05 -39.91 87.6 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.9 -13.97 0.23 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.7 mt -60.2 -39.97 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.218 -1.166 . . . . 0.0 108.846 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.41 -39.86 88.91 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 63.6 tttp -61.92 -38.61 89.08 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -32.88 68.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 110.078 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.25 -40.04 88.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.099 -1.001 . . . . 0.0 110.136 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.32 -40.03 89.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.246 -0.909 . . . . 0.0 111.13 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 55.2 mp0 -93.2 -0.83 56.76 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.832 -1.167 . . . . 0.0 110.298 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.59 -37.65 41.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 109.944 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.07 -40.07 88.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.753 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.87 -27.71 65.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.998 -1.064 . . . . 0.0 110.216 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.61 -16.4 39.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.874 -1.141 . . . . 0.0 109.125 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 58.6 -139.56 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.509 -0.744 . . . . 0.0 109.982 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -85.02 -0.03 53.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.386 -0.821 . . . . 0.0 109.884 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.45 78.47 5.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.978 -1.076 . . . . 0.0 109.805 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.98 -25.15 63.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.213 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.22 -40.45 90.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.924 . . . . 0.0 110.075 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.51 70.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.08 -1.012 . . . . 0.0 109.728 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -60.85 -40.07 91.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.67 83.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.893 -1.129 . . . . 0.0 109.299 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -67.41 -38.02 83.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 0.0 110.202 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.29 -39.92 78.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.014 -1.054 . . . . 0.0 110.193 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -94.93 -0.55 53.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.262 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 m120 51.68 48.94 21.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.32 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 mt -116.3 150.65 45.71 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.316 -0.865 . . . . 0.0 109.387 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.35 156.98 60.6 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.219 1.946 . . . . 0.0 111.456 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.73 -24.87 2.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.356 2.037 . . . . 0.0 113.473 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -50.32 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.831 -1.168 . . . . 0.0 110.685 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.16 -40.1 29.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 120.741 -1.224 . . . . 0.0 110.507 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.04 67.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.915 -1.115 . . . . 0.0 109.467 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.42 -39.87 92.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.451 -0.781 . . . . 0.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.05 -39.96 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -40.02 82.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.12 -22.58 62.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.7 -0.625 . . . . 0.0 109.91 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.9 m -95.2 -35.95 11.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.06 -1.025 . . . . 0.0 109.307 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.6 t -59.41 128.07 35.24 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -75.34 -33.91 61.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.236 -0.915 . . . . 0.0 110.97 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.09 -41.44 74.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.082 -1.011 . . . . 0.0 110.53 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -87.01 0.93 54.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.216 -0.928 . . . . 0.0 110.31 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 69.8 tp60 -69.78 -59.32 3.02 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.009 -1.057 . . . . 0.0 109.573 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 0.0 109.577 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.7 mt -97.27 142.34 29.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.0 110.963 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 5' ' ' ILE . 87.5 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -13.79 0.23 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.6 mt -60.27 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.282 -1.128 . . . . 0.0 108.812 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.27 -39.91 88.5 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 63.6 tttp -61.83 -38.84 89.67 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.8 -32.86 67.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 110.169 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.24 -40.16 89.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.032 -1.043 . . . . 0.0 110.149 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.39 -40.0 89.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.194 -0.941 . . . . 0.0 111.053 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 11' ' ' GLU . 56.2 mp0 -93.11 -0.9 56.9 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.931 -1.106 . . . . 0.0 110.375 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.53 -37.87 41.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.09 -1.006 . . . . 0.0 109.877 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.199 -0.938 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.85 -27.64 65.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.01 -1.056 . . . . 0.0 110.353 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.63 -16.35 39.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.827 -1.17 . . . . 0.0 109.154 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 58.66 -139.39 0.77 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.64 -0.663 . . . . 0.0 109.932 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -84.98 -0.03 52.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.84 . . . . 0.0 109.926 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.66 78.55 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.988 -1.07 . . . . 0.0 109.79 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.08 -25.08 63.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.398 -0.813 . . . . 0.0 109.136 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.38 -40.45 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 0.0 110.079 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.66 70.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.113 -0.992 . . . . 0.0 109.713 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -60.8 -40.06 91.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.04 84.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.01 -1.056 . . . . 0.0 109.265 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -67.22 -37.92 84.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.333 -0.854 . . . . 0.0 110.289 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.22 -40.14 78.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.158 -0.964 . . . . 0.0 110.126 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.05 -0.21 53.86 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 m120 51.39 49.02 21.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 110.387 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -116.5 150.78 46.11 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.364 -0.835 . . . . 0.0 109.286 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.44 156.97 60.46 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.182 1.921 . . . . 0.0 111.628 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.6 -25.07 2.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.439 2.093 . . . . 0.0 113.543 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.815 -1.178 . . . . 0.0 110.61 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.38 -40.19 28.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.885 -1.135 . . . . 0.0 110.508 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.883 -1.136 . . . . 0.0 109.602 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.05 -40.12 88.35 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.376 -0.827 . . . . 0.0 109.538 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.39 -39.98 92.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 110.54 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.01 -40.05 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -22.89 63.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.76 -0.588 . . . . 0.0 109.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.3 m -94.9 -35.88 11.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.066 -1.021 . . . . 0.0 109.41 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.37 127.97 34.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -75.29 -33.84 61.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.192 -0.943 . . . . 0.0 110.935 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.13 -41.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.0 110.517 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.03 0.79 54.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.126 -0.984 . . . . 0.0 110.201 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -69.68 -59.63 2.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.979 -1.076 . . . . 0.0 109.505 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.492 -179.56 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.52 142.23 31.28 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.837 0.827 . . . . 0.0 111.592 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.06 -38.29 82.39 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -12.37 0.17 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 42.5 mt -59.93 -38.16 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.437 -1.037 . . . . 0.0 109.061 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 52.8 t0 -59.93 -37.68 80.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 108.918 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.57 -36.73 84.63 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.85 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 109.665 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.89 -41.39 91.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.062 . . . . 0.0 109.546 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.81 -39.91 90.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.321 -0.862 . . . . 0.0 110.001 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.04 7.35 44.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.208 -0.933 . . . . 0.0 110.424 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -50.08 -47.43 53.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 108.997 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.73 -39.66 89.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.587 -0.696 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.149 -0.969 . . . . 0.0 109.881 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -85.68 -11.86 52.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 59.26 -134.37 0.89 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.541 -0.725 . . . . 0.0 110.525 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.2 0.92 54.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 0.0 110.39 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.27 78.02 6.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.935 -1.103 . . . . 0.0 109.194 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.93 -26.29 64.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.155 -0.965 . . . . 0.0 110.036 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.035 -1.04 . . . . 0.0 110.083 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.32 93.29 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 108.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.5 ttm -60.03 -45.24 93.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.829 . . . . 0.0 109.541 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.34 -43.95 92.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.271 -0.893 . . . . 0.0 109.505 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -63.66 -39.98 95.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 0.0 110.439 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.0 -40.51 75.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.166 -0.959 . . . . 0.0 110.909 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.67 0.02 52.18 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.043 -1.036 . . . . 0.0 109.333 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.6 m120 53.72 50.04 17.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.36 -0.837 . . . . 0.0 110.147 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.8 mt -120.13 152.67 54.79 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.69 150.83 45.68 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.01 1.807 . . . . 0.0 111.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -40.97 -23.88 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.439 2.093 . . . . 0.0 113.197 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.05 -50.44 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.954 -1.091 . . . . 0.0 110.281 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.93 -40.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.321 -0.862 . . . . 0.0 110.562 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.13 78.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.076 -1.015 . . . . 0.0 109.257 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.11 -39.94 91.86 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.298 -0.876 . . . . 0.0 110.109 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.33 -40.6 94.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.79 -40.76 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.09 -39.98 85.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.87 -18.0 62.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.815 -0.553 . . . . 0.0 110.277 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -94.1 -38.11 11.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.805 -1.184 . . . . 0.0 109.051 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.45 131.82 51.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 108.791 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -78.38 -33.01 49.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.557 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -70.31 -40.1 74.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.979 -1.076 . . . . 0.0 110.407 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.9 m -86.25 -1.87 57.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.999 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.519 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 64.6 tp60 -69.66 -58.79 3.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.86 -1.15 . . . . 0.0 109.657 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.691 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -99.46 142.24 31.19 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.813 0.816 . . . . 0.0 111.458 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.7 m-20 -60.11 -38.47 83.1 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -12.36 0.15 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 43.0 mt -59.99 -38.21 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.438 -1.036 . . . . 0.0 109.029 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 52.4 t0 -59.84 -37.8 80.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 108.802 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -65.64 -36.49 83.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 109.439 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.82 72.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.609 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.99 -41.45 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.009 -1.057 . . . . 0.0 109.419 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.56 -40.09 90.33 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.245 -0.91 . . . . 0.0 110.086 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -92.94 7.57 43.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.175 -0.953 . . . . 0.0 110.441 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -50.27 -47.34 55.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.818 -1.176 . . . . 0.0 108.964 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.57 -40.04 90.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.588 -0.695 . . . . 0.0 110.233 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.16 -0.962 . . . . 0.0 110.049 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -85.79 -11.85 52.43 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 59.39 -134.41 0.88 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.745 . . . . 0.0 110.602 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.37 1.05 54.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.468 -0.77 . . . . 0.0 110.351 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.37 77.93 7.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.092 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.95 -26.09 63.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.148 -0.97 . . . . 0.0 110.222 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.96 -40.14 88.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.03 -1.044 . . . . 0.0 110.238 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.25 93.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 108.927 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.8 ttm -60.14 -45.55 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.508 -0.745 . . . . 0.0 109.532 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.99 -44.13 91.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.451 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -63.65 -39.98 95.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.0 110.492 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.04 -40.12 75.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.076 -1.015 . . . . 0.0 110.947 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.95 0.06 51.35 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.985 -1.072 . . . . 0.0 109.184 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 53.66 50.08 17.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.328 -0.857 . . . . 0.0 110.197 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 58.6 mt -120.15 152.73 54.93 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.538 -0.726 . . . . 0.0 109.041 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 150.83 45.5 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.061 1.841 . . . . 0.0 112.018 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.01 -23.82 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.399 2.066 . . . . 0.0 113.166 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.86 -50.59 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.861 -1.149 . . . . 0.0 110.412 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.91 -40.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.056 -1.027 . . . . 0.0 109.234 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.64 -40.05 90.54 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.53 -40.27 94.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 109.977 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.14 -40.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.41 -40.05 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.554 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -62.71 -19.16 63.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.824 -0.548 . . . . 0.0 110.213 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -93.07 -38.13 11.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.023 -1.048 . . . . 0.0 109.29 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -60.31 132.04 52.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.21 -0.931 . . . . 0.0 108.686 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -78.38 -33.02 49.15 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.229 -0.919 . . . . 0.0 110.609 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -70.41 -40.02 74.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 110.408 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -86.32 -2.11 58.11 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.065 -1.022 . . . . 0.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.4 tp-100 -69.25 -59.06 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.869 -1.144 . . . . 0.0 109.514 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -102.06 140.04 36.88 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.553 0.692 . . . . 0.0 110.803 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' ILE . 56.7 t0 -60.04 -40.0 87.86 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.05 -9.98 0.26 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' ASP . 30.4 mt -59.97 -32.27 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -1.116 . . . . 0.0 108.634 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 89.0 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.161 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.27 85.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.525 -0.734 . . . . 0.0 109.508 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -33.64 69.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.907 . . . . 0.0 109.857 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.021 -1.049 . . . . 0.0 109.796 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' A' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.46 86.11 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.955 -1.091 . . . . 0.0 110.057 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -89.95 1.23 56.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 110.232 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -40.06 39.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.0 109.401 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.07 -39.63 86.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 109.438 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 68.6 mttm -63.23 -36.82 84.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 0.0 110.162 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -85.92 -19.38 30.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.924 -1.11 . . . . 0.0 109.556 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 31.3 m80 58.04 -134.5 1.07 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.401 -0.812 . . . . 0.0 109.778 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -84.51 -5.4 59.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 110.468 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -80.33 81.28 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.863 -1.148 . . . . 0.0 109.78 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -70.0 -23.8 63.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.17 -0.956 . . . . 0.0 109.154 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.4 -40.07 89.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 0.0 109.798 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.72 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 36' ' ' ILE . 35.3 ttm -60.72 -49.05 79.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 109.615 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.37 -38.39 71.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.158 -0.964 . . . . 0.0 110.194 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.08 -1.013 . . . . 0.0 110.843 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.56 -39.89 73.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.941 -1.1 . . . . 0.0 110.732 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.59 -4.55 47.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.104 -0.998 . . . . 0.0 109.441 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.8 m120 52.19 49.4 20.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 0.0 110.189 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 mt -116.74 161.27 33.02 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.452 -0.78 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -70.62 160.7 48.58 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.422 1.415 . . . . 0.0 110.924 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.42 -20.45 33.03 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.198 1.932 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -50.1 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.326 -0.859 . . . . 0.0 110.141 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.27 -44.81 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 111.147 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.847 -1.158 . . . . 0.0 109.96 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.06 -39.98 87.89 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.291 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.77 -40.16 96.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 110.5 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.7 mt -60.38 -41.57 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.28 -40.05 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.536 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.58 -22.09 63.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.457 -0.777 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 m -91.91 -38.38 12.33 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.928 -1.107 . . . . 0.0 109.406 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.4 t -59.55 127.71 33.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -78.43 -27.09 46.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.08 -40.64 64.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.956 -1.09 . . . . 0.0 110.104 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -86.2 -1.23 57.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.068 . . . . 0.0 109.905 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.9 tp-100 -70.09 -59.97 2.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.112 -0.992 . . . . 0.0 110.451 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.247 -0.908 . . . . 0.0 109.593 -179.524 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 70.4 mt -102.08 140.04 36.89 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.571 -0.705 . . . . 0.0 110.798 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 56.7 t0 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.94 -10.16 0.26 Allowed Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 30.1 mt -59.91 -32.34 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -1.117 . . . . 0.0 108.634 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 89.1 m-20 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.184 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.41 85.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.421 -0.799 . . . . 0.0 109.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.26 -33.75 69.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.837 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.03 -44.72 94.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.977 -1.077 . . . . 0.0 109.829 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' B' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.47 86.14 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.003 -1.061 . . . . 0.0 110.062 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -89.98 1.44 56.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.87 -40.07 41.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.026 -1.046 . . . . 0.0 109.46 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.419 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 68.7 mttm -63.08 -36.76 84.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 110.226 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -85.99 -19.4 30.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.881 -1.137 . . . . 0.0 109.559 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 31.4 m80 58.08 -134.44 1.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.731 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.6 m -84.57 -5.29 59.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.35 81.18 6.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.143 . . . . 0.0 109.806 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -69.95 -23.85 63.26 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.168 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -40.07 89.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.848 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.53 94.98 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.245 -0.909 . . . . 0.0 108.949 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.504 ' SD ' HD12 ' B' ' 36' ' ' ILE . 35.3 ttm -60.75 -49.16 78.6 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.343 -0.848 . . . . 0.0 109.565 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.23 -38.45 71.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -0.961 . . . . 0.0 110.233 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.63 88.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.02 -1.05 . . . . 0.0 110.78 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.57 -39.93 73.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.982 -1.074 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -94.55 -4.53 47.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.105 -0.997 . . . . 0.0 109.472 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 52.11 49.35 20.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.87 . . . . 0.0 110.167 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 mt -116.68 161.31 32.72 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.433 -0.792 . . . . 0.0 109.098 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.6 160.62 48.85 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.389 1.392 . . . . 0.0 110.834 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.39 -20.51 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.147 1.898 . . . . 0.0 111.047 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.198 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.24 -44.48 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.966 -1.084 . . . . 0.0 111.144 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.65 80.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.79 -1.194 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.12 -39.87 87.77 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.341 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.96 -39.98 96.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.504 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.7 mt -60.43 -41.66 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.781 -1.2 . . . . 0.0 108.062 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.23 -40.07 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.3 63.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.579 -0.701 . . . . 0.0 109.986 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -91.68 -38.42 12.43 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.925 -1.11 . . . . 0.0 109.5 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.47 127.72 33.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 108.51 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -78.51 -26.95 46.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 110.373 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.17 -40.55 64.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.834 -1.166 . . . . 0.0 110.159 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.3 m -86.27 -1.33 57.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 109.921 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.99 -60.09 2.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.074 -1.016 . . . . 0.0 110.446 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 -179.429 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -99.33 140.02 34.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.537 -0.727 . . . . 0.0 110.857 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.14 -39.9 87.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.4 -12.35 0.18 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.6 mt -59.93 -35.56 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.272 -1.134 . . . . 0.0 108.642 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.9 -40.08 87.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.22 -39.13 93.75 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.26 79.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.01 -41.82 92.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 109.158 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.74 -39.95 93.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.414 -0.804 . . . . 0.0 110.03 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.96 1.88 56.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.317 -0.864 . . . . 0.0 110.611 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -50.66 -42.15 56.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.907 -1.121 . . . . 0.0 109.187 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.78 -38.67 86.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.346 -0.847 . . . . 0.0 109.603 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 50.4 tptt -59.93 -40.04 87.58 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.423 -0.798 . . . . 0.0 109.598 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.14 -14.52 43.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.993 -1.067 . . . . 0.0 109.761 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.7 0.95 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.252 -0.905 . . . . 0.0 110.229 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m -84.9 -2.46 57.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.476 -0.765 . . . . 0.0 110.005 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.82 72.39 6.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.69 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.88 -26.17 64.06 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.811 . . . . 0.0 108.984 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.49 -40.11 90.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.305 -0.872 . . . . 0.0 109.596 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.92 -44.88 79.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.627 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.87 -40.42 97.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.96 84.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -68.65 -35.26 77.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.458 -0.776 . . . . 0.0 110.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.16 -42.93 75.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.98 . . . . 0.0 109.458 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.68 -0.04 56.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.492 -0.755 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.16 49.95 20.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.116 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -116.98 152.29 48.53 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.582 -0.699 . . . . 0.0 109.12 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.03 152.05 45.48 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.002 1.802 . . . . 0.0 112.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.4 -25.75 0.3 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.507 2.138 . . . . 0.0 113.524 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -50.18 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 0.0 110.398 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.31 -41.74 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.101 -0.999 . . . . 0.0 109.841 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.04 83.49 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.19 -0.944 . . . . 0.0 109.06 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -60.28 -40.12 89.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.083 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -64.26 -40.19 95.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.428 -0.795 . . . . 0.0 110.299 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.53 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.11 -40.07 82.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -18.98 34.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.716 -0.615 . . . . 0.0 109.594 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -92.22 -46.68 7.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 0.0 108.744 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -59.93 128.12 35.27 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.96 -26.15 40.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.001 -1.062 . . . . 0.0 110.447 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.38 -44.74 50.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.066 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.28 -26.16 42.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -74.85 -64.99 0.93 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.13 . . . . 0.0 109.517 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 108.942 179.757 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.46 140.02 34.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.547 -0.72 . . . . 0.0 110.867 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.1 m-20 -60.11 -39.88 87.74 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.39 -12.28 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' B' ' 3' ' ' ASP . 49.8 mt -59.91 -35.63 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.375 -1.074 . . . . 0.0 108.647 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.13 -39.24 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.3 79.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.589 -0.695 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.03 -41.68 92.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.104 -0.997 . . . . 0.0 109.139 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -40.06 93.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.421 -0.799 . . . . 0.0 110.077 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.87 1.86 56.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.563 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -50.66 -42.23 56.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 0.0 109.153 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.67 -38.58 85.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.291 -0.881 . . . . 0.0 109.706 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 50.4 tptt -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 109.518 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.09 -14.53 44.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.732 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' B' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.62 0.95 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.128 -0.983 . . . . 0.0 110.244 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -84.94 -2.37 57.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.322 -0.861 . . . . 0.0 110.028 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -79.78 72.23 6.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.055 . . . . 0.0 108.81 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.75 -26.17 64.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.384 -0.823 . . . . 0.0 109.021 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.58 -40.13 90.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.87 79.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 109.696 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.4 ttp -62.78 -40.47 97.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.636 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.01 84.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.919 -1.113 . . . . 0.0 109.166 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -68.55 -35.44 77.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.487 -0.758 . . . . 0.0 110.142 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -68.92 -43.02 76.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.66 -0.03 56.26 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 51.2 49.95 20.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -116.98 152.15 48.35 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.435 -0.79 . . . . 0.0 109.104 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.95 152.1 45.96 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.01 1.807 . . . . 0.0 111.949 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.52 -25.79 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.604 2.203 . . . . 0.0 113.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -50.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.902 -1.124 . . . . 0.0 110.42 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.16 -41.59 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.125 -0.984 . . . . 0.0 109.972 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.94 83.97 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -60.51 -39.93 89.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.341 -0.849 . . . . 0.0 109.043 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -40.14 95.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.255 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.68 -40.06 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.28 -40.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.0 34.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.746 -0.596 . . . . 0.0 109.699 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -92.16 -46.78 7.58 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 108.71 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.03 128.13 35.31 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.01 -26.08 39.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.026 -1.046 . . . . 0.0 110.4 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.31 -44.77 51.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.969 -1.082 . . . . 0.0 110.094 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.29 -26.16 42.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 110.368 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -74.8 -65.28 0.89 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.915 -1.116 . . . . 0.0 109.514 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 108.871 179.799 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.0 139.62 34.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.378 -0.826 . . . . 0.0 110.779 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 27.0 p-10 -60.54 -40.07 90.23 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -48.98 -10.65 0.14 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 35.2 mt -59.93 -32.12 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.23 -1.159 . . . . 0.0 108.516 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.92 -39.92 87.09 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.45 -39.03 93.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 109.222 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.68 69.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.05 -40.6 89.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.941 -1.099 . . . . 0.0 109.008 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.3 -39.3 86.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.543 -0.723 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.96 0.97 56.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.207 -0.933 . . . . 0.0 110.128 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.58 -47.42 57.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.133 -0.979 . . . . 0.0 109.089 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 43.3 mp0 -60.37 -39.23 86.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.0 108.9 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.1 tttt -61.22 -39.81 91.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.205 -0.935 . . . . 0.0 109.017 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.88 -15.68 43.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.928 . . . . 0.0 109.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 30.8 m80 58.07 -136.02 0.98 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.419 -0.8 . . . . 0.0 109.902 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -84.61 -2.29 57.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.802 . . . . 0.0 110.017 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.36 80.2 6.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.077 -1.015 . . . . 0.0 109.639 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.47 -23.51 62.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.945 . . . . 0.0 109.842 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.61 -41.74 95.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.149 -0.969 . . . . 0.0 110.268 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.16 90.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.363 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.9 ttm -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.297 -0.877 . . . . 0.0 109.287 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.52 -40.62 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 110.056 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -67.28 -39.64 86.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.7 -40.86 76.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.143 -0.973 . . . . 0.0 110.661 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -98.44 1.28 46.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.336 -0.852 . . . . 0.0 109.337 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.1 m120 52.39 47.88 23.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 110.153 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 19.5 mt -114.36 154.41 46.43 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.45 -0.781 . . . . 0.0 109.218 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.39 159.95 48.07 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.102 1.868 . . . . 0.0 111.31 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.53 -24.8 23.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 112.356 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.79 -50.24 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.1 -1.0 . . . . 0.0 110.448 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.67 -43.42 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 111.127 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.17 74.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.849 -1.157 . . . . 0.0 109.713 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.22 -39.96 88.5 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.404 -0.81 . . . . 0.0 109.129 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.01 -40.05 94.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.568 -0.708 . . . . 0.0 110.032 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.7 mt -60.13 -41.9 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.84 -1.162 . . . . 0.0 108.279 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -40.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.42 -21.17 63.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.69 -0.631 . . . . 0.0 109.954 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -88.64 -45.18 10.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.236 -0.915 . . . . 0.0 109.528 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.1 t -58.72 126.18 26.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.155 -0.965 . . . . 0.0 108.617 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -77.33 -24.59 50.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.054 -1.029 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -72.46 -40.13 67.23 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.695 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.17 1.53 52.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.056 -1.028 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.6 tp-100 -77.63 -70.18 0.49 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -0.984 . . . . 0.0 108.725 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 109.093 179.422 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -98.95 139.94 33.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -0.879 . . . . 0.0 110.789 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 26.1 p-10 -60.9 -39.82 90.74 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -49.12 -10.84 0.17 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 35.2 mt -59.85 -31.77 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -1.094 . . . . 0.0 108.78 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.32 -39.81 88.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.34 -39.49 93.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.489 -0.757 . . . . 0.0 109.154 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.21 69.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 109.566 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.92 -40.17 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.101 -1.0 . . . . 0.0 109.058 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.79 -39.1 87.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.293 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.97 0.66 56.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.151 -0.968 . . . . 0.0 109.96 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -50.4 -47.33 56.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.131 -0.981 . . . . 0.0 109.278 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 45.8 mp0 -60.3 -39.29 86.43 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.27 -0.894 . . . . 0.0 109.163 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.2 tttt -61.22 -39.63 90.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 0.0 109.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -85.12 -16.07 41.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.309 -0.869 . . . . 0.0 108.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 32.8 m80 58.36 -135.93 0.94 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.564 -0.71 . . . . 0.0 109.861 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -84.45 -2.43 57.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.064 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.24 80.24 6.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 109.71 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -70.73 -23.22 62.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.077 -1.014 . . . . 0.0 109.713 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.77 -41.78 96.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.898 . . . . 0.0 110.156 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.17 90.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.454 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.8 ttm -60.76 -44.37 96.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.244 -0.91 . . . . 0.0 109.311 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.84 -40.3 88.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 0.0 109.872 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -67.42 -39.7 85.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.234 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.01 -40.75 75.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 110.515 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.2 1.41 47.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.6 m120 52.59 47.47 24.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 110.106 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 19.5 mt -114.0 154.25 46.07 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.425 -0.797 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.86 159.95 49.16 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.058 1.839 . . . . 0.0 111.25 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.76 -24.49 23.67 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.529 2.153 . . . . 0.0 112.261 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -50.24 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.067 -1.02 . . . . 0.0 110.392 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.55 -43.54 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.982 -1.074 . . . . 0.0 111.113 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.12 74.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.108 . . . . 0.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.21 -40.02 88.64 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.434 -0.792 . . . . 0.0 109.101 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.08 -40.04 94.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.84 . . . . 0.0 110.0 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.454 HD12 ' SD ' ' B' ' 22' ' ' MET . 85.0 mt -60.17 -42.31 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.924 -1.11 . . . . 0.0 108.297 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -21.68 64.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.546 -0.721 . . . . 0.0 109.973 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -88.41 -44.77 10.51 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.306 -0.871 . . . . 0.0 109.595 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.13 126.34 27.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.937 -1.102 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.33 -24.47 50.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.946 -1.096 . . . . 0.0 109.871 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -72.52 -39.91 67.22 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.069 -1.019 . . . . 0.0 109.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.61 1.6 53.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 109.648 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 53.9 tp60 -77.58 -70.28 0.48 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.028 -1.045 . . . . 0.0 108.523 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.488 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.506 0.67 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.4 mt -99.21 142.47 30.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.466 -0.771 . . . . 0.0 110.25 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 86.0 m-20 -60.04 -39.5 86.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.36 -15.56 0.25 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.964 -1.655 . . . . 0.0 108.964 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 69.4 mt -60.48 -40.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.318 -1.107 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.31 -39.95 94.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.782 . . . . 0.0 108.944 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.92 -35.48 78.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.796 . . . . 0.0 109.046 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB1' ' SD ' ' A' ' 22' ' ' MET . . . -59.79 -36.2 76.24 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.217 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.08 -42.96 95.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.038 -1.039 . . . . 0.0 109.062 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.56 -39.96 93.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.449 -0.782 . . . . 0.0 110.071 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -92.34 1.09 57.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.273 -0.892 . . . . 0.0 110.647 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -49.35 -44.53 44.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.907 -1.121 . . . . 0.0 109.361 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.354 -0.841 . . . . 0.0 109.486 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 80.3 tttt -62.57 -38.41 89.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 110.63 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.5 -10.99 57.98 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.839 -1.163 . . . . 0.0 110.034 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 25.1 m80 59.01 -137.19 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 109.717 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -87.63 1.43 53.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.872 . . . . 0.0 110.085 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 76.11 9.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.16 -25.9 63.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.807 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.07 -40.77 90.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.692 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.79 82.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 109.017 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.4 ' SD ' ' HB1' ' A' ' 8' ' ' ALA . 59.2 ttp -62.27 -41.77 98.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.378 -0.826 . . . . 0.0 109.771 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.49 -39.81 81.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.98 . . . . 0.0 109.122 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.81 -38.66 86.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.435 -0.791 . . . . 0.0 110.036 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.98 -39.93 75.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.11 -0.02 50.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.102 -0.999 . . . . 0.0 108.922 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.4 m120 53.58 47.42 23.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.398 -0.814 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' PRO . 45.2 mt -119.58 121.98 29.58 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.519 -0.738 . . . . 0.0 109.867 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 28' ' ' LEU . 71.4 Cg_exo -47.37 178.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.322 1.348 . . . . 0.0 111.485 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -64.93 -21.56 63.82 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.346 2.03 . . . . 0.0 113.339 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.46 -60.53 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.854 -1.154 . . . . 0.0 110.424 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.21 -40.66 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.581 -0.699 . . . . 0.0 110.54 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.76 84.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.968 -1.083 . . . . 0.0 109.378 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.482 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.03 -40.4 95.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 0.0 110.491 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.52 -40.72 85.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.99 -40.1 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.83 -18.66 60.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.749 -0.594 . . . . 0.0 110.362 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -94.26 -37.78 11.35 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.858 -1.151 . . . . 0.0 110.054 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.02 134.55 57.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.041 -1.037 . . . . 0.0 108.848 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.49 -32.7 48.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.8 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -71.24 -41.13 70.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.018 -1.051 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -84.99 5.66 28.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.023 -1.048 . . . . 0.0 109.7 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.5 tp-100 -77.42 -70.11 0.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.162 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 108.757 179.709 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.535 0.683 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.64 142.44 31.12 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.636 -0.665 . . . . 0.0 110.284 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' B' ' 5' ' ' ILE . 86.3 m-20 -59.93 -39.63 86.17 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.13 -16.06 0.23 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 3' ' ' ASP . 68.9 mt -60.12 -40.03 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.447 -1.031 . . . . 0.0 108.318 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.44 -39.91 94.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.448 -0.783 . . . . 0.0 109.022 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.68 -35.77 79.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.187 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' SD ' ' B' ' 22' ' ' MET . . . -59.71 -36.1 75.86 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.421 -0.8 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.91 -42.99 95.09 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.0 93.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.441 -0.787 . . . . 0.0 110.125 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.34 1.07 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.231 -0.918 . . . . 0.0 110.561 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -49.14 -44.81 42.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.153 . . . . 0.0 109.402 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.03 -39.08 84.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.371 -0.831 . . . . 0.0 109.496 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.428 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 80.3 tttt -62.55 -38.53 90.41 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.504 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -83.33 -11.21 57.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.851 -1.156 . . . . 0.0 110.032 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 24.5 m80 59.1 -137.55 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.659 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.9 m -87.31 1.24 53.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.457 -0.777 . . . . 0.0 110.151 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 75.92 9.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.05 -25.92 63.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.132 -0.98 . . . . 0.0 109.841 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.88 . . . . 0.0 109.725 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.59 82.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.298 -0.876 . . . . 0.0 108.971 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.405 ' SD ' ' HB1' ' B' ' 8' ' ' ALA . 59.3 ttp -62.38 -41.69 98.84 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.461 -0.774 . . . . 0.0 109.786 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.46 -40.01 81.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.168 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.5 -39.05 88.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 0.0 110.073 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.68 -40.1 76.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.085 -1.009 . . . . 0.0 110.282 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -96.01 0.05 51.18 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 108.969 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.3 m120 53.49 47.75 23.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 29' ' ' PRO . 45.0 mt -119.98 121.91 29.33 Favored Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.509 -0.744 . . . . 0.0 109.695 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' B' ' 28' ' ' LEU . 72.0 Cg_exo -47.36 178.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.501 1.467 . . . . 0.0 111.438 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.96 -21.5 63.76 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.308 2.005 . . . . 0.0 113.421 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.46 -60.78 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.0 -40.49 78.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.57 -0.706 . . . . 0.0 110.638 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.72 84.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 109.456 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.207 -0.933 . . . . 0.0 109.354 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.04 -40.27 95.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.38 -0.825 . . . . 0.0 110.416 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.57 -40.84 85.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.911 -1.118 . . . . 0.0 108.039 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.86 -40.08 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.59 60.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.694 -0.629 . . . . 0.0 110.468 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.1 m -94.23 -37.92 11.3 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.866 -1.146 . . . . 0.0 110.061 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.79 134.73 57.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.108 -0.995 . . . . 0.0 108.81 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.7 -32.82 47.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.24 -40.78 70.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.937 -1.102 . . . . 0.0 110.1 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.29 5.57 29.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.766 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -77.32 -69.94 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.191 -0.943 . . . . 0.0 109.168 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 108.704 179.82 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.44 32.14 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.946 0.879 . . . . 0.0 111.308 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.2 m-20 -59.99 -35.93 76.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 -10.96 0.25 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 32.1 mt -60.0 -40.01 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.481 -1.011 . . . . 0.0 108.983 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.01 -39.66 86.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.63 -39.23 90.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.346 -0.846 . . . . 0.0 109.283 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.18 73.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 0.0 109.916 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.93 -40.08 87.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.84 -40.11 91.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.275 -0.891 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.87 8.94 44.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.894 . . . . 0.0 110.862 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.09 -44.34 51.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.701 -1.249 . . . . 0.0 108.934 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.09 -38.98 84.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -0.813 . . . . 0.0 109.617 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.344 -0.848 . . . . 0.0 110.263 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.92 -18.92 31.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.125 . . . . 0.0 109.602 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 57.06 -125.34 1.82 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.009 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -86.24 -5.72 59.13 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 110.575 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -77.92 69.43 4.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.827 -1.171 . . . . 0.0 109.288 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.95 -20.13 63.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.12 -0.987 . . . . 0.0 108.578 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.46 -39.96 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 109.116 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.87 90.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.416 -0.803 . . . . 0.0 108.956 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.7 ttm -59.97 -48.51 81.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.1 t -66.16 -37.95 86.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 110.084 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -70.01 -39.96 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.466 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.08 -0.02 42.69 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 69.4 m-20 53.19 48.88 21.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.4 mt -118.53 151.52 49.84 Favored Pre-proline 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 109.228 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.1 154.64 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.108 1.872 . . . . 0.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -41.13 -24.3 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.777 2.318 . . . . 0.0 113.971 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -50.01 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.884 -1.135 . . . . 0.0 110.597 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.2 -41.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.11 -0.993 . . . . 0.0 111.247 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.47 75.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.792 -1.193 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.04 -39.94 87.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.56 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.085 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -60.82 -43.91 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.937 -1.102 . . . . 0.0 108.75 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.29 -38.08 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.22 -24.87 65.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.64 -0.662 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.87 -30.04 16.38 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.658 -1.276 . . . . 0.0 110.219 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.41 134.99 57.51 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.973 -1.079 . . . . 0.0 108.498 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.05 -27.05 48.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -74.24 -40.04 62.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.1 -1.0 . . . . 0.0 109.912 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.28 -1.27 56.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.111 -0.993 . . . . 0.0 110.342 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.7 tp-100 -68.53 -54.71 15.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.958 -1.089 . . . . 0.0 109.667 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.327 -0.858 . . . . 0.0 109.87 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.52 32.02 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.905 0.86 . . . . 0.0 111.277 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -59.97 -36.14 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.35 -11.1 0.23 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' B' ' 3' ' ' ASP . 32.1 mt -59.94 -40.03 81.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.587 -0.949 . . . . 0.0 108.95 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.98 -39.8 86.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.395 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.5 -39.24 90.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.407 -0.808 . . . . 0.0 109.246 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.05 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.0 109.882 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.04 -40.08 88.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.965 -1.085 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.86 -40.06 91.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 0.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.86 8.94 44.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.323 -0.861 . . . . 0.0 110.844 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -50.29 -44.23 53.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.778 -1.201 . . . . 0.0 108.986 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.497 -0.752 . . . . 0.0 109.729 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 110.216 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -85.77 -19.02 31.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.869 -1.144 . . . . 0.0 109.615 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.15 -125.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.79 . . . . 0.0 110.009 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -86.42 -5.84 59.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.238 -0.914 . . . . 0.0 110.483 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -77.76 69.42 4.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.298 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -69.91 -20.21 63.37 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.257 -0.902 . . . . 0.0 108.574 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -60.48 -40.0 89.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.101 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.86 91.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 108.898 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.539 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.6 ttm -60.06 -48.62 80.97 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.367 -0.833 . . . . 0.0 109.404 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.57 -40.04 86.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.858 . . . . 0.0 109.491 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.4 t -66.38 -37.81 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -69.98 -40.09 75.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.376 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.03 0.07 43.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.28 -0.888 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 69.3 m-20 53.13 48.86 21.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 110.285 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.4 mt -118.59 151.45 49.82 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 121.339 -0.851 . . . . 0.0 109.264 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.1 154.61 57.37 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.163 1.909 . . . . 0.0 112.015 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.97 -24.54 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.799 2.333 . . . . 0.0 113.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -49.86 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.871 -1.143 . . . . 0.0 110.505 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.08 -41.28 45.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.048 -1.033 . . . . 0.0 111.274 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.47 75.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.882 -1.136 . . . . 0.0 109.974 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -59.97 -39.96 87.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.585 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.06 -40.25 88.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -0.873 . . . . 0.0 109.949 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.5 mt -60.79 -43.73 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.979 -1.076 . . . . 0.0 108.781 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.32 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.72 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.704 -0.622 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.89 -29.86 16.47 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.679 -1.263 . . . . 0.0 110.281 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.61 134.92 57.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 108.436 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.99 -27.01 48.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.015 -1.053 . . . . 0.0 109.965 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -74.22 -39.98 62.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.975 . . . . 0.0 109.898 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.23 -1.46 56.95 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.131 -0.98 . . . . 0.0 110.381 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.41 -54.61 16.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.964 -1.085 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.887 179.89 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.427 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 71.0 mt -114.71 142.7 46.15 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 121.65 0.738 . . . . 0.0 110.469 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.1 m-20 -60.04 -39.13 84.89 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -13.16 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 54.6 mt -60.14 -36.42 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.348 -1.089 . . . . 0.0 108.53 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -60.03 -40.04 87.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.97 -39.86 95.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.72 77.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.478 -0.763 . . . . 0.0 109.939 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.97 -41.1 91.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.08 . . . . 0.0 108.75 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -36.94 85.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.443 -0.786 . . . . 0.0 109.973 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.89 1.27 57.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.161 -0.962 . . . . 0.0 110.723 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.41 -45.97 36.76 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.823 -1.173 . . . . 0.0 109.46 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.27 -40.03 88.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 109.737 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -0.976 . . . . 0.0 109.843 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.83 -10.22 58.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.985 -1.072 . . . . 0.0 109.229 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 59.32 -140.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.14 -1.21 54.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.199 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.99 74.51 6.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 0.0 108.93 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -69.99 -25.35 63.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.301 -0.874 . . . . 0.0 109.778 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.71 -40.5 92.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.424 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.41 84.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.95 -46.17 91.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.376 -0.827 . . . . 0.0 109.375 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.27 -40.81 82.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.008 -1.058 . . . . 0.0 109.508 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -64.5 -38.82 92.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.865 . . . . 0.0 110.101 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.29 -39.95 78.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.46 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.01 0.04 51.15 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.2 -0.937 . . . . 0.0 109.091 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.3 m120 51.63 47.84 24.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.34 -0.85 . . . . 0.0 110.393 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.3 153.15 44.17 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 66.3 Cg_endo -73.34 147.28 41.49 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.039 1.826 . . . . 0.0 111.734 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.49 -24.38 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.307 2.005 . . . . 0.0 112.951 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -59.99 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.816 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.32 -41.44 50.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.77 68.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -0.965 . . . . 0.0 109.501 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.14 -39.96 88.15 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.146 -0.971 . . . . 0.0 109.16 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.58 96.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.827 . . . . 0.0 110.043 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.54 -40.58 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.01 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.77 -20.43 49.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.692 -0.63 . . . . 0.0 109.846 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -87.99 -44.36 11.06 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 109.228 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.1 129.88 44.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.244 -0.91 . . . . 0.0 108.666 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -77.76 -24.69 48.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.118 -0.989 . . . . 0.0 110.005 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -77.92 -48.7 15.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.14 -0.975 . . . . 0.0 111.111 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.9 m -77.97 -29.76 49.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.054 -1.029 . . . . 0.0 110.81 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.0 tt0 -69.91 -55.34 9.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.845 -1.159 . . . . 0.0 109.668 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.162 -0.962 . . . . 0.0 108.984 179.801 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.436 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 69.9 mt -114.76 142.7 46.18 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.617 0.722 . . . . 0.0 110.509 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 89.2 m-20 -60.03 -39.09 84.7 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -13.27 0.27 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 55.2 mt -60.04 -36.38 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.336 -1.097 . . . . 0.0 108.568 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -63.23 -39.66 95.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.54 77.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.386 -0.822 . . . . 0.0 109.909 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.16 -40.97 91.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.917 -1.114 . . . . 0.0 108.796 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.85 85.11 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.906 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.99 1.47 57.29 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.239 -0.913 . . . . 0.0 110.694 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 t -48.49 -46.08 37.76 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 109.497 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.884 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -83.98 -10.07 58.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.994 -1.066 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 59.35 -140.23 0.69 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.595 -0.69 . . . . 0.0 110.093 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.24 -1.25 54.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.0 74.43 6.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 108.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.04 -25.37 63.52 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.377 -0.827 . . . . 0.0 109.728 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.44 91.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.495 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.31 84.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.01 -46.07 92.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.364 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.43 -40.66 83.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.051 -1.031 . . . . 0.0 109.435 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -64.57 -38.98 92.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.052 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.13 -40.03 78.52 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.0 110.451 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.95 0.05 51.36 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.111 -0.993 . . . . 0.0 109.15 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.3 m120 51.43 47.86 24.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.44 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -111.33 153.23 44.16 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' B' ' 31' ' ' VAL . 66.1 Cg_endo -73.35 147.28 41.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.145 1.897 . . . . 0.0 111.802 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -40.58 -24.24 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.386 2.057 . . . . 0.0 112.876 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.2 t -59.94 -50.05 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.09 -1.006 . . . . 0.0 109.84 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.41 -41.36 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.76 68.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 109.51 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.7 97.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.521 -0.737 . . . . 0.0 109.893 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.56 -40.53 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.13 -40.03 85.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -20.44 48.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.66 -0.65 . . . . 0.0 109.86 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -87.91 -44.7 10.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 109.187 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.7 t -58.81 129.95 44.61 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 108.672 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -77.92 -24.7 48.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.064 -1.022 . . . . 0.0 109.971 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -77.9 -48.58 16.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.135 -0.978 . . . . 0.0 111.18 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.8 m -78.09 -29.81 49.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.007 -1.058 . . . . 0.0 110.837 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.69 -55.67 9.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.958 -1.089 . . . . 0.0 109.78 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.0 108.956 179.841 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.32 144.13 26.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.587 0.708 . . . . 0.0 110.6 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.1 87.88 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.68 -14.68 0.41 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 3' ' ' ASP . 67.9 mt -59.98 -43.17 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.24 -1.153 . . . . 0.0 108.488 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.8 -40.07 96.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.94 -39.86 95.12 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.57 71.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.97 -42.39 94.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.17 -40.0 92.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.513 -0.742 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.4 7.22 43.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.315 -0.866 . . . . 0.0 110.197 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.78 -39.94 53.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.062 -1.024 . . . . 0.0 109.231 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.63 -39.0 86.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.387 -0.821 . . . . 0.0 110.505 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.15 -40.04 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.19 -13.02 39.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.933 -1.105 . . . . 0.0 109.522 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 58.58 -135.39 0.94 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -86.66 0.02 55.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 109.795 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 80.46 6.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.965 -1.085 . . . . 0.0 109.216 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.96 -26.38 64.08 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.505 -0.747 . . . . 0.0 109.684 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.1 -41.75 93.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.146 -0.971 . . . . 0.0 110.151 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.84 81.32 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 109.21 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.2 ttp -62.36 -43.66 98.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.916 . . . . 0.0 109.525 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.42 -40.44 86.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -63.24 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.927 . . . . 0.0 109.947 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.17 -40.04 74.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.73 0.04 52.01 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.231 -0.918 . . . . 0.0 109.681 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 50.9 44.99 28.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 mt -110.66 115.03 54.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.514 -0.741 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' VAL . 85.8 Cg_exo -46.8 149.76 2.96 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.468 1.445 . . . . 0.0 111.472 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -39.81 -19.87 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.541 2.16 . . . . 0.0 113.409 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.3 t -60.03 -53.49 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 110.915 -178.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.11 -37.85 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 110.43 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.47 89.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.822 -1.174 . . . . 0.0 108.528 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.36 -40.0 89.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.504 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.897 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.01 -40.73 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.166 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.3 -40.03 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.51 56.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.529 -0.732 . . . . 0.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -87.18 -47.52 8.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.132 -0.98 . . . . 0.0 108.92 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.94 126.37 27.14 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.11 -26.16 47.87 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.176 -0.952 . . . . 0.0 109.873 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.24 -43.93 48.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.166 -0.959 . . . . 0.0 110.646 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.74 -28.75 33.18 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.966 -1.083 . . . . 0.0 110.918 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.01 -57.49 4.94 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.834 -1.166 . . . . 0.0 110.355 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.111 -0.993 . . . . 0.0 109.122 -179.694 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.14 144.24 25.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.499 -0.751 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.24 88.34 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -14.61 0.39 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' ASP . 67.1 mt -60.03 -43.04 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.0 108.495 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.95 -40.01 96.38 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.78 -39.93 95.46 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -34.68 71.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.652 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.18 -39.93 92.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.537 -0.727 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.42 7.37 43.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.27 -0.893 . . . . 0.0 110.203 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.78 -40.08 54.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.015 . . . . 0.0 109.166 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.51 -39.14 86.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.11 -40.06 92.35 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 0.0 110.391 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.15 -12.67 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 109.615 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 58.45 -135.34 0.96 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.86 . . . . 0.0 109.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -86.57 -0.13 55.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -0.84 . . . . 0.0 109.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.06 80.71 6.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.957 -1.089 . . . . 0.0 109.09 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.03 -26.25 63.95 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.424 -0.798 . . . . 0.0 109.697 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 0.0 110.152 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.91 80.76 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.037 -1.04 . . . . 0.0 109.213 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.4 ttp -62.24 -43.9 97.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.503 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.24 -40.29 85.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 0.0 109.761 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -63.39 -39.98 95.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.933 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.27 -39.98 74.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -95.53 0.01 52.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.238 -0.914 . . . . 0.0 109.713 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 82.0 m-20 50.81 44.96 27.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 109.692 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -110.59 114.99 54.38 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.784 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 84.9 Cg_exo -46.83 149.68 3.03 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.473 1.449 . . . . 0.0 111.478 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -39.64 -20.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.554 2.17 . . . . 0.0 113.444 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 70.4 t -60.04 -53.34 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.874 -1.141 . . . . 0.0 110.977 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.19 -37.77 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.985 -1.072 . . . . 0.0 110.423 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.58 88.93 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.904 -1.122 . . . . 0.0 108.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.26 -40.04 88.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.465 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.01 -40.34 97.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.451 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.93 -40.93 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 120.932 -1.105 . . . . 0.0 108.098 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.21 -39.99 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.567 -0.708 . . . . 0.0 109.649 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -87.33 -47.48 8.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.131 -0.981 . . . . 0.0 108.832 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -57.91 126.31 26.89 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -77.96 -26.23 48.64 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.87 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.41 -43.67 48.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 0.0 110.697 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.4 m -81.86 -28.79 32.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 110.903 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.01 -57.54 4.88 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.034 -179.815 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.9 mt -102.44 139.71 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 61.5 t0 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -12.46 0.14 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.2 mt -59.75 -31.81 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.347 -1.09 . . . . 0.0 108.233 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.68 -37.72 88.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.19 -0.944 . . . . 0.0 108.628 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.91 74.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 109.286 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 109.069 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.83 -39.97 91.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.429 -0.795 . . . . 0.0 109.978 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -90.06 1.63 56.13 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -49.32 -45.35 45.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.86 -39.46 89.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.634 -0.666 . . . . 0.0 109.586 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 109.386 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.25 -12.78 54.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -0.982 . . . . 0.0 109.513 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 57.42 -137.37 0.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.379 -0.825 . . . . 0.0 109.771 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m -83.55 -3.28 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.821 . . . . 0.0 109.654 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.81 76.56 6.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.98 -25.95 63.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.425 -0.797 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -40.12 93.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -0.918 . . . . 0.0 109.776 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.74 83.1 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.4 ttp -62.21 -41.86 98.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.956 . . . . 0.0 109.206 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.83 -39.9 78.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.169 -0.957 . . . . 0.0 109.18 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.09 -38.69 88.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.176 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -69.54 -43.85 72.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.699 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -91.56 -0.77 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.301 -0.874 . . . . 0.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.4 m-20 51.5 50.09 19.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.888 . . . . 0.0 110.111 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -119.45 152.01 52.27 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.439 -0.788 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 160.56 49.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 0.0 111.102 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.93 -24.04 23.14 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.03 -50.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.956 -1.09 . . . . 0.0 109.899 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.81 -42.61 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 0.0 109.928 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.83 72.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.553 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.38 -40.01 92.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.378 -0.826 . . . . 0.0 110.091 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.054 -1.029 . . . . 0.0 108.448 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.76 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.28 -24.05 62.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.644 -0.66 . . . . 0.0 110.555 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -93.93 -31.99 14.07 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.908 -1.12 . . . . 0.0 109.626 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.78 130.44 46.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.104 -0.998 . . . . 0.0 109.208 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.07 -38.68 63.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 111.199 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -70.85 -41.89 70.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.961 -1.087 . . . . 0.0 110.789 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -83.16 8.88 11.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.783 -1.198 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.5 tp-100 -77.85 -69.99 0.51 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.891 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.895 . . . . 0.0 109.179 -179.33 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.4 139.78 37.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.586 -0.696 . . . . 0.0 110.956 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 60.8 t0 -59.97 -39.95 87.38 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.79 -12.58 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 40.1 mt -59.71 -31.82 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.32 -1.106 . . . . 0.0 108.293 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.66 -37.9 89.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.292 -0.88 . . . . 0.0 108.693 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.82 74.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 109.235 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.01 -40.22 88.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.85 -40.01 91.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.474 -0.767 . . . . 0.0 110.011 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -89.98 1.75 55.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 110.131 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.38 -45.38 45.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.037 -1.039 . . . . 0.0 109.086 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.79 -39.44 88.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.566 -0.709 . . . . 0.0 109.591 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.252 -0.905 . . . . 0.0 109.37 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -84.24 -12.85 54.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.085 -1.01 . . . . 0.0 109.508 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 57.41 -137.34 0.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.75 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -83.6 -3.1 57.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.676 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.04 76.46 6.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.274 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.4 -40.2 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.766 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.8 83.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.335 -0.853 . . . . 0.0 109.464 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.5 ttp -62.08 -41.96 98.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.23 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -39.9 78.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 0.0 109.262 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.2 -38.56 88.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.439 -0.788 . . . . 0.0 110.128 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -69.62 -43.71 72.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 109.778 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.71 -0.68 57.57 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.412 -0.805 . . . . 0.0 109.31 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 51.48 49.89 20.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 mt -119.39 152.04 52.16 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.411 -0.805 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.0 160.56 49.19 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.215 1.943 . . . . 0.0 111.081 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.0 -24.03 23.46 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.618 2.212 . . . . 0.0 112.744 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.94 -50.12 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.924 -1.11 . . . . 0.0 109.911 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.69 -42.67 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.881 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.72 72.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.165 -0.959 . . . . 0.0 109.742 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.43 -40.04 92.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.365 -0.835 . . . . 0.0 110.114 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.1 -40.09 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.054 -1.029 . . . . 0.0 108.424 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.72 -40.02 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.4 -23.9 62.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.551 -0.718 . . . . 0.0 110.562 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.3 m -93.91 -32.05 14.05 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.927 -1.108 . . . . 0.0 109.542 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.65 130.34 46.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 109.158 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -74.11 -38.66 63.76 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.84 . . . . 0.0 111.159 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -70.76 -41.92 71.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.948 -1.095 . . . . 0.0 110.822 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.02 8.69 12.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.738 -1.226 . . . . 0.0 109.508 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -77.76 -70.05 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.256 -0.902 . . . . 0.0 109.811 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.129 -179.266 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.22 144.57 26.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.613 0.72 . . . . 0.0 110.593 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.9 m-20 -59.88 -40.08 87.46 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 178.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -19.59 0.29 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' ASP . 82.7 mt -60.23 -40.65 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.398 -1.06 . . . . 0.0 108.358 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -60.03 -40.12 88.22 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -64.92 -39.41 93.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.548 -0.72 . . . . 0.0 109.126 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.67 79.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 0.0 109.822 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.0 -43.31 95.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.039 -1.038 . . . . 0.0 109.863 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.1 -39.9 87.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.89 11.51 33.52 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.277 -0.889 . . . . 0.0 110.539 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.8 -39.94 40.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.006 . . . . 0.0 109.439 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 98.9 mt-10 -60.09 -39.29 85.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 63.2 tttp -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.967 . . . . 0.0 109.934 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -86.21 -17.52 34.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.951 -1.093 . . . . 0.0 109.494 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 27.3 m80 58.67 -137.63 0.83 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.115 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -83.98 -3.03 57.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.032 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.67 76.92 8.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.915 -1.115 . . . . 0.0 109.477 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.56 -17.11 61.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.214 -0.928 . . . . 0.0 109.536 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 20' ' ' ARG . 20.0 mmm-85 -60.04 -49.62 76.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.0 109.093 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.6 97.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.548 -0.72 . . . . 0.0 109.27 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -61.48 -46.71 88.85 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.307 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.13 -39.97 84.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.058 -1.026 . . . . 0.0 109.64 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -66.74 -37.76 85.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 0.0 110.153 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.084 -1.01 . . . . 0.0 109.619 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -95.15 -0.11 53.66 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.4 m-20 50.86 49.11 21.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.255 -0.903 . . . . 0.0 110.139 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.48 152.25 46.87 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 121.385 -0.822 . . . . 0.0 109.422 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.93 160.15 50.69 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.117 1.878 . . . . 0.0 110.56 178.499 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.09 -20.88 20.04 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.406 2.071 . . . . 0.0 111.55 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.02 -55.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.034 -1.041 . . . . 0.0 110.139 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -72.57 -42.1 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.253 -0.905 . . . . 0.0 110.406 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.79 72.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 0.0 109.686 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -60.07 -40.06 88.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.264 -0.897 . . . . 0.0 109.336 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.67 -40.5 92.34 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.473 -0.767 . . . . 0.0 110.145 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.07 -43.45 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.038 -1.039 . . . . 0.0 108.463 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.74 -39.97 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -19.67 45.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.695 -0.628 . . . . 0.0 110.295 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -91.76 -41.98 10.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.95 -1.093 . . . . 0.0 109.322 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -59.4 129.95 44.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.224 -0.922 . . . . 0.0 108.667 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.3 -36.0 61.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.276 -0.89 . . . . 0.0 110.793 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.74 -43.31 69.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.009 . . . . 0.0 110.956 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.23 -30.39 38.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.86 -1.15 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -72.63 -60.03 2.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.823 -1.173 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.084 -1.01 . . . . 0.0 109.481 -179.61 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.732 0.777 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -96.17 144.46 26.38 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.654 0.74 . . . . 0.0 110.529 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.2 m-20 -60.03 -39.92 87.53 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.62 -19.59 0.31 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' ASP . 82.6 mt -60.14 -40.84 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.37 -1.077 . . . . 0.0 108.279 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.0 -39.49 93.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.551 -0.718 . . . . 0.0 109.117 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.58 79.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.792 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.06 -43.06 95.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 109.872 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.25 -40.01 88.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 0.0 110.257 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.87 11.55 33.34 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.303 -0.873 . . . . 0.0 110.538 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -49.68 -40.04 38.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.013 -1.054 . . . . 0.0 109.51 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 98.8 mt-10 -60.04 -39.41 85.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.288 -0.883 . . . . 0.0 109.876 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.478 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 63.2 tttp -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.972 -179.04 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -86.29 -17.43 34.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 26.9 m80 58.61 -137.84 0.83 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.434 -0.791 . . . . 0.0 110.089 179.165 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -84.02 -2.97 57.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.934 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.54 76.79 8.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.981 -1.074 . . . . 0.0 109.415 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.64 -16.94 61.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 109.546 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' B' ' 20' ' ' ARG . 20.0 mmm-85 -60.4 -49.49 77.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.009 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -41.6 97.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.498 -0.751 . . . . 0.0 109.236 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.9 ttp -61.54 -46.62 89.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.1 -40.06 84.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.951 -1.093 . . . . 0.0 109.689 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -66.78 -37.71 85.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 110.108 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -69.15 -39.85 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.117 -0.989 . . . . 0.0 109.699 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -95.19 -0.09 53.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.3 m-20 50.72 49.38 21.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.65 152.3 47.11 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.06 160.08 50.9 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.208 1.939 . . . . 0.0 110.443 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.1 -20.87 20.06 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.322 2.015 . . . . 0.0 111.558 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.94 -55.47 23.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 110.17 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.53 -41.83 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.263 -0.898 . . . . 0.0 110.44 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.81 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.957 . . . . 0.0 109.591 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.0 109.387 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.59 -40.53 92.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.488 -0.757 . . . . 0.0 110.165 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.07 -43.58 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.102 . . . . 0.0 108.439 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.78 -39.92 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.96 -19.65 45.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.845 -0.534 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -91.84 -42.07 10.28 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.957 -1.09 . . . . 0.0 109.283 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.6 t -59.45 129.73 43.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 108.586 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.15 -36.19 61.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.307 -0.87 . . . . 0.0 110.775 -179.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.57 -43.0 70.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.0 110.981 -178.325 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 76.1 m -80.63 -30.32 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.649 -1.282 . . . . 0.0 110.525 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.59 -59.99 2.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.678 -1.264 . . . . 0.0 110.432 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 -179.607 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.73 137.77 37.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 111.18 -178.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.6 m-20 -60.63 -39.44 88.24 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.28 -13.73 0.14 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 44.1 mt -58.69 -31.25 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -59.99 -40.12 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.04 -37.71 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.765 . . . . 0.0 108.985 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -37.17 77.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.819 . . . . 0.0 109.474 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -39.47 86.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.566 -0.709 . . . . 0.0 109.766 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -93.54 3.01 56.22 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.212 -0.93 . . . . 0.0 110.672 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.96 -47.22 52.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.73 -1.231 . . . . 0.0 109.066 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.17 -39.37 86.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.464 -0.772 . . . . 0.0 109.429 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.18 -40.03 88.56 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.278 -0.888 . . . . 0.0 109.782 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.12 -13.44 52.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.058 -1.027 . . . . 0.0 108.831 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 58.46 -134.42 1.01 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 110.11 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.83 -7.64 59.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.263 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.71 76.87 6.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.02 -1.05 . . . . 0.0 109.797 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.28 -27.01 64.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.866 . . . . 0.0 109.83 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -60.03 -40.0 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.009 -1.057 . . . . 0.0 109.817 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 108.807 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -62.12 -43.92 97.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.343 -0.848 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.99 84.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.129 -0.982 . . . . 0.0 109.389 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -65.34 -38.43 90.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.34 -0.85 . . . . 0.0 109.911 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.87 -40.21 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.163 -0.96 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -92.7 -1.27 56.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.105 -0.997 . . . . 0.0 109.179 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.11 48.81 21.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.521 -0.737 . . . . 0.0 110.734 179.024 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.6 151.4 48.31 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.15 152.91 56.87 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.953 1.769 . . . . 0.0 112.105 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.65 -24.83 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.45 2.1 . . . . 0.0 113.02 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.74 -50.15 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.991 -1.068 . . . . 0.0 110.229 -178.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.2 -40.94 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.864 -1.147 . . . . 0.0 109.632 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.88 67.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.258 -0.902 . . . . 0.0 109.436 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.05 -39.66 86.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.135 -0.978 . . . . 0.0 109.517 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.51 -40.13 93.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.252 -0.905 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.49 -41.35 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.907 -1.121 . . . . 0.0 108.522 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.51 -39.94 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.51 -18.71 31.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.673 -0.642 . . . . 0.0 110.174 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -91.33 -44.75 8.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.849 -1.157 . . . . 0.0 108.908 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.39 127.09 30.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.0 108.86 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.86 -25.83 44.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.685 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.12 -41.67 61.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.786 -1.196 . . . . 0.0 110.375 -179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.29 -28.19 34.75 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.152 -0.968 . . . . 0.0 111.119 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.04 -58.46 3.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.152 . . . . 0.0 110.286 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.024 -1.048 . . . . 0.0 109.529 179.901 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.7 mt -99.43 137.73 37.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 111.227 -178.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.8 m-20 -60.73 -39.4 88.51 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.109 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.12 -13.73 0.12 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 179.068 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 44.5 mt -58.83 -31.17 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.13 -39.99 88.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.549 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -65.2 -37.91 88.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.34 77.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 109.505 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.21 -39.88 88.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.177 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.547 -0.721 . . . . 0.0 109.768 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.42 3.02 56.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.182 -0.949 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.9 -47.18 52.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.873 -1.142 . . . . 0.0 109.088 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.29 -39.38 86.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.376 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.13 -39.87 87.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.299 -0.875 . . . . 0.0 109.781 -179.659 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.2 -13.58 52.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.003 . . . . 0.0 108.854 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 58.56 -134.5 0.99 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.476 -0.765 . . . . 0.0 110.092 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.81 -7.37 59.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.444 -0.785 . . . . 0.0 110.338 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.99 77.0 6.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.751 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -70.46 -26.88 63.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.431 -0.793 . . . . 0.0 109.826 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -60.04 -40.04 88.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.68 79.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 108.754 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -62.34 -43.98 97.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.222 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.1 83.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.163 -0.96 . . . . 0.0 109.449 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -65.2 -38.59 90.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.926 . . . . 0.0 109.925 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.102 -0.999 . . . . 0.0 110.545 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.46 -1.14 57.2 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.027 -1.046 . . . . 0.0 109.24 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 52.96 48.87 21.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.78 179.023 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.58 151.42 48.32 Favored Pre-proline 0 N--CA 1.501 2.124 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.26 152.98 56.36 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.994 1.796 . . . . 0.0 111.996 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.73 -24.71 0.28 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.511 2.141 . . . . 0.0 113.158 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.86 -50.03 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.02 -1.05 . . . . 0.0 110.07 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.29 -40.89 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.995 -1.066 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.68 68.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 109.4 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.033 -1.042 . . . . 0.0 109.411 178.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.08 -40.21 92.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.283 -0.886 . . . . 0.0 110.528 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.21 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.526 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.6 -39.92 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.812 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -19.0 32.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.766 -0.584 . . . . 0.0 110.212 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.4 m -91.31 -44.81 8.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.857 -1.152 . . . . 0.0 108.931 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.4 127.44 31.77 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.277 -0.889 . . . . 0.0 108.723 179.041 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -79.25 -25.56 42.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.962 -1.086 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.32 -41.36 61.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 110.398 -179.298 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.37 -28.36 34.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.068 -1.02 . . . . 0.0 111.122 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.93 -58.55 3.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.828 -1.17 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.079 -1.013 . . . . 0.0 109.475 179.876 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.492 0.663 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -98.65 140.89 32.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.583 -0.698 . . . . 0.0 110.911 -178.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.0 m-20 -59.89 -39.21 84.58 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.515 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 -14.74 0.12 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.181 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' ASP . 46.1 mt -60.03 -34.21 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.409 -1.053 . . . . 0.0 108.487 178.919 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.94 -39.87 87.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.63 -39.96 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.528 -0.732 . . . . 0.0 109.262 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -37.26 78.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.527 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.95 -42.24 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.061 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -39.97 92.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.76 5.52 51.37 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.13 -0.981 . . . . 0.0 110.489 -178.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -49.35 -39.99 33.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -60.64 -39.95 90.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.947 . . . . 0.0 109.652 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.4 -39.48 87.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.281 -0.887 . . . . 0.0 109.739 -179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -84.55 -16.54 41.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 58.44 -135.36 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.328 -0.858 . . . . 0.0 110.144 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 m -84.87 -0.78 55.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.131 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.54 73.2 8.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 109.926 -179.382 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.93 . . . . 0.0 109.168 179.318 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.13 -40.37 89.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.88 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.72 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.259 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.84 -40.05 93.98 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.505 -0.747 . . . . 0.0 109.667 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.47 -41.74 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 0.0 109.647 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -65.49 -39.74 92.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.463 -179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.05 -40.04 78.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.021 -1.049 . . . . 0.0 110.179 -179.026 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -94.99 -2.27 50.74 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.019 -1.051 . . . . 0.0 109.392 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.3 m-80 51.86 50.01 19.53 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.22 -0.925 . . . . 0.0 110.14 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -117.23 151.6 48.03 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.568 -0.707 . . . . 0.0 109.255 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.82 153.8 42.98 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.032 1.821 . . . . 0.0 112.214 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -42.19 -26.58 0.55 Allowed 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.71 2.273 . . . . 0.0 112.888 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.96 -49.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.976 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -76.74 -41.26 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 110.139 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.09 66.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.515 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.02 -40.01 87.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.3 -0.875 . . . . 0.0 109.477 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.87 -40.7 96.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.43 -40.44 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.0 -39.96 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -17.83 43.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.707 -0.621 . . . . 0.0 110.674 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -96.91 -36.7 10.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.79 -1.194 . . . . 0.0 110.211 -178.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 t -59.13 131.67 51.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.061 -1.024 . . . . 0.0 109.222 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.52 -34.69 63.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.274 -0.891 . . . . 0.0 110.958 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.818 -1.176 . . . . 0.0 110.172 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -87.15 0.31 55.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.087 -1.008 . . . . 0.0 110.068 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -69.85 -60.04 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.564 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.316 -0.865 . . . . 0.0 109.613 -179.766 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -98.8 140.74 32.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.567 -0.708 . . . . 0.0 110.913 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.03 -39.0 84.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.5 -14.91 0.12 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.01 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.9 mt -60.01 -34.13 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.997 . . . . 0.0 108.535 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.31 -40.01 92.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.26 79.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.64 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.0 -42.25 93.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.082 -1.011 . . . . 0.0 109.016 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.02 92.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.355 -0.84 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.61 5.54 51.27 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.182 -0.949 . . . . 0.0 110.38 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -49.35 -40.39 35.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.828 -1.17 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.843 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.46 -39.45 87.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.717 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -84.3 -17.03 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.387 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 58.84 -135.13 0.92 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.5 m -85.31 -0.83 55.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.388 -0.82 . . . . 0.0 110.212 -179.151 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.27 73.06 8.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.06 -1.025 . . . . 0.0 109.926 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -28.13 65.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.159 -0.963 . . . . 0.0 109.102 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.31 -40.3 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.26 80.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.261 -0.899 . . . . 0.0 109.162 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.0 ttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.665 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -41.54 85.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 109.656 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -65.88 -39.6 90.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 110.42 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.95 -40.06 79.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.091 -1.006 . . . . 0.0 110.137 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -95.1 -1.93 51.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.248 -0.907 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.6 m-80 51.5 50.05 19.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.171 -0.956 . . . . 0.0 110.203 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 mt -116.94 151.66 47.71 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.602 -0.686 . . . . 0.0 109.29 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.74 153.56 43.23 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.147 1.898 . . . . 0.0 112.206 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.08 -26.44 0.5 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.64 2.227 . . . . 0.0 113.07 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.01 -49.98 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -0.95 . . . . 0.0 109.927 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.84 -41.3 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.109 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.97 67.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.17 -39.83 87.78 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.298 -0.877 . . . . 0.0 109.534 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.07 -40.14 94.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 110.057 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.76 -40.3 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.99 -39.98 84.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.581 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.15 -18.24 46.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.652 -0.655 . . . . 0.0 110.581 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -96.41 -36.46 10.82 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.861 -1.149 . . . . 0.0 110.305 -178.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.56 131.67 51.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.956 -1.09 . . . . 0.0 109.152 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -74.36 -34.79 63.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.326 -0.859 . . . . 0.0 111.031 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.0 -40.09 75.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.827 -1.17 . . . . 0.0 110.035 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 45.1 m -87.0 -0.02 55.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.035 -1.041 . . . . 0.0 110.104 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.7 tp-100 -69.69 -60.06 2.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.929 -1.107 . . . . 0.0 109.56 -179.52 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.312 -0.867 . . . . 0.0 109.535 -179.681 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 28' ' ' LEU . 61.2 mt -101.84 143.12 32.13 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.833 0.825 . . . . 0.0 111.294 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 -12.92 0.23 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.7 mt -60.98 -34.86 61.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.263 -1.139 . . . . 0.0 108.576 178.764 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.98 -39.25 85.06 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.02 -38.3 90.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.396 -0.815 . . . . 0.0 108.952 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.49 79.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.366 -0.834 . . . . 0.0 109.967 -179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.08 -40.92 91.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.193 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.46 -39.95 89.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.013 -1.054 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.06 1.49 57.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.175 -0.953 . . . . 0.0 110.698 -178.612 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.89 -43.13 28.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.843 -1.161 . . . . 0.0 109.691 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.03 -40.03 94.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.96 -39.93 93.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.41 -13.39 49.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.055 -1.028 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.74 -136.17 1.01 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.502 -0.749 . . . . 0.0 110.521 179.104 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 0.14 52.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.031 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.04 79.54 7.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.07 -25.12 63.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.503 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.36 73.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.231 -0.918 . . . . 0.0 109.152 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -61.34 -45.22 95.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.376 -0.827 . . . . 0.0 109.349 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 109.536 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -66.38 -37.69 85.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.519 -0.738 . . . . 0.0 109.815 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.87 -40.01 75.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.289 -0.882 . . . . 0.0 109.711 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.48 47.22 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.368 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 30.0 m120 51.15 47.66 24.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.241 -0.912 . . . . 0.0 110.34 179.251 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 2' ' ' LEU . 57.5 mt -112.38 131.1 22.76 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.291 -0.881 . . . . 0.0 109.77 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 96.1 Cg_exo -43.8 141.4 4.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.718 1.612 . . . . 0.0 111.931 179.025 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -39.77 -21.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.439 2.093 . . . . 0.0 113.083 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.99 -50.45 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.028 -1.045 . . . . 0.0 110.591 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.7 -41.14 62.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.858 -1.151 . . . . 0.0 110.485 -179.113 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.007 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.136 -0.977 . . . . 0.0 109.691 179.046 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.43 -40.41 94.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 110.187 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -40.51 83.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.17 -39.97 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.95 49.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.759 -0.588 . . . . 0.0 109.73 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -90.33 -45.6 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.123 -0.985 . . . . 0.0 108.674 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.98 126.86 29.17 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.82 -28.24 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.58 -42.95 57.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 -178.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.55 -24.37 39.31 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.08 -1.013 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -67.33 -48.77 66.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.829 -1.169 . . . . 0.0 110.214 -178.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' B' ' 45' ' ' LEU . 86.0 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.068 -1.02 . . . . 0.0 109.07 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.5 mt -101.88 143.13 32.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.783 0.802 . . . . 0.0 111.344 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.5 m-20 -59.97 -37.24 79.01 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -12.91 0.22 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.185 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.5 mt -61.11 -34.75 61.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.375 -1.073 . . . . 0.0 108.556 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.97 -39.32 85.26 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -63.08 -37.92 89.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.491 -0.756 . . . . 0.0 109.01 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.66 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -0.841 . . . . 0.0 109.96 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.99 -40.94 90.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.162 -0.961 . . . . 0.0 110.214 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.5 -39.95 89.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.051 -1.031 . . . . 0.0 109.907 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.91 1.37 57.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.172 -0.955 . . . . 0.0 110.682 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.77 -43.17 27.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.825 -1.172 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.0 -40.05 94.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.897 . . . . 0.0 110.27 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.93 -40.01 94.02 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.059 -1.025 . . . . 0.0 110.021 -179.161 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.53 -13.06 50.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.01 -1.056 . . . . 0.0 109.778 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 57.6 -136.34 1.01 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.413 -0.804 . . . . 0.0 110.53 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 t -84.91 0.06 52.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.364 -0.835 . . . . 0.0 110.119 -179.04 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.07 79.64 7.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.998 -1.064 . . . . 0.0 109.31 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.1 -25.15 63.37 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.408 -0.808 . . . . 0.0 109.473 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.88 -42.08 93.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.855 . . . . 0.0 110.013 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 109.106 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.373 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 109.577 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -66.31 -37.96 86.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.739 . . . . 0.0 109.823 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.56 -39.99 77.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 0.0 109.798 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.44 47.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.217 -0.927 . . . . 0.0 109.363 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 51.09 47.72 24.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 179.374 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.39 131.16 22.73 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.407 -0.808 . . . . 0.0 109.783 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 31' ' ' VAL . 94.2 Cg_exo -43.88 141.27 4.36 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.791 1.661 . . . . 0.0 111.989 178.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.75 -21.62 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.409 2.073 . . . . 0.0 113.31 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.0 -50.11 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.955 -1.091 . . . . 0.0 110.562 -178.7 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.02 -41.49 59.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.002 -1.061 . . . . 0.0 110.487 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.02 71.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -39.98 87.44 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.17 -0.956 . . . . 0.0 109.757 178.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.42 -40.58 94.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 110.31 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.1 -40.46 83.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.14 -39.92 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 177.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.24 51.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.688 -0.632 . . . . 0.0 109.709 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -89.68 -45.91 9.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.047 -1.033 . . . . 0.0 108.647 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.82 126.94 29.53 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.87 -28.2 44.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 110.778 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.55 -42.86 58.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 110.833 -178.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -80.75 -24.28 38.8 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.973 -1.08 . . . . 0.0 111.032 -178.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.5 -48.57 66.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.896 -1.128 . . . . 0.0 110.231 -178.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 86.9 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 108.964 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.14 140.5 33.21 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.919 0.866 . . . . 0.0 111.256 -178.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' A' ' 5' ' ' ILE . 57.8 t0 -59.89 -38.39 82.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 -12.39 0.39 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -60.36 -34.0 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.278 -1.131 . . . . 0.0 108.2 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.05 -38.16 81.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 109.025 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.63 -39.65 94.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.389 -0.82 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.93 82.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.248 -0.908 . . . . 0.0 109.386 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.99 -41.51 92.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.163 -0.96 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.72 -40.0 95.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.83 7.85 45.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.902 . . . . 0.0 110.357 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -48.87 -41.63 33.92 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.906 -1.122 . . . . 0.0 108.964 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -34.74 74.41 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.609 -0.682 . . . . 0.0 109.358 179.431 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.073 -1.017 . . . . 0.0 110.289 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.43 -17.31 29.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.027 -1.046 . . . . 0.0 109.76 -179.511 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.57 -126.74 1.71 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.597 -0.689 . . . . 0.0 110.384 179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 m -88.43 -0.32 57.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.094 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.78 72.42 7.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.922 -1.111 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -69.92 -27.38 64.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.231 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.92 -44.49 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.0 109.792 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.03 84.31 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.996 -1.065 . . . . 0.0 108.467 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -61.44 -47.84 83.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.065 178.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.71 -40.12 86.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.246 -0.909 . . . . 0.0 109.057 179.692 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -68.29 -32.09 72.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.499 -0.751 . . . . 0.0 109.303 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.89 -41.81 74.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 108.716 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -95.06 -2.03 50.97 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.7 m120 52.82 42.2 31.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.301 179.334 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.26 126.63 28.84 Favored Pre-proline 0 N--CA 1.504 2.272 0 O-C-N 121.217 -0.927 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.49 153.63 1.14 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.715 1.61 . . . . 0.0 112.252 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.38 -21.9 0.5 Allowed 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.505 2.137 . . . . 0.0 113.606 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.0 -59.52 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.832 -1.167 . . . . 0.0 109.933 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.5 t -69.96 -41.47 79.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.307 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.045 -1.034 . . . . 0.0 109.509 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.17 -39.97 88.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 108.785 179.239 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.64 -41.28 97.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.476 -0.765 . . . . 0.0 110.437 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.12 -41.56 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.948 -1.095 . . . . 0.0 108.111 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.36 -40.09 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.75 57.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.66 -0.65 . . . . 0.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -93.73 -39.56 10.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.884 -1.135 . . . . 0.0 109.832 -179.064 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.1 132.75 54.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.026 -1.046 . . . . 0.0 108.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -75.87 -35.56 59.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.334 -0.854 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.81 -40.07 76.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.917 -1.114 . . . . 0.0 109.911 -178.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.2 m -85.41 -2.78 58.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.045 . . . . 0.0 110.059 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -65.7 -50.2 65.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.986 -179.366 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.122 -0.987 . . . . 0.0 109.0 179.683 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.41 140.27 33.85 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.916 0.865 . . . . 0.0 111.175 -178.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.489 ' C ' ' N ' ' B' ' 5' ' ' ILE . 57.8 t0 -59.97 -38.29 82.07 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.074 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.44 -12.42 0.34 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.009 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.489 ' N ' ' C ' ' B' ' 3' ' ' ASP . 50.1 mt -60.32 -34.25 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -1.171 . . . . 0.0 108.179 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.84 -38.31 81.7 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.405 -0.809 . . . . 0.0 108.984 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -62.41 -39.92 94.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.412 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.06 82.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.225 -0.922 . . . . 0.0 109.47 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.13 -41.2 92.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.069 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.82 -40.02 96.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.414 -0.804 . . . . 0.0 110.217 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.93 7.89 45.55 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.23 -0.919 . . . . 0.0 110.329 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.0 -41.43 34.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.846 -1.159 . . . . 0.0 108.929 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.76 -34.47 74.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.56 -0.712 . . . . 0.0 109.376 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.45 -39.93 95.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.28 -16.98 29.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.009 -1.057 . . . . 0.0 109.696 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.3 -127.01 1.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.6 -0.687 . . . . 0.0 110.388 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -88.05 -0.42 57.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -80.69 72.53 7.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.902 -1.124 . . . . 0.0 109.357 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -70.0 -27.26 64.55 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -44.52 94.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.741 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.85 85.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.036 -1.04 . . . . 0.0 108.527 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.78 -47.83 83.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.799 . . . . 0.0 109.016 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -40.28 86.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.885 . . . . 0.0 109.079 179.576 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -68.26 -32.02 71.9 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.381 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.88 -41.91 74.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.147 -0.971 . . . . 0.0 108.683 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -94.94 -2.18 51.03 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.5 m120 53.01 42.23 32.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.25 126.45 29.22 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.232 -0.918 . . . . 0.0 109.948 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.37 153.5 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.799 1.666 . . . . 0.0 112.228 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.32 -22.0 0.5 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.487 2.125 . . . . 0.0 113.496 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.75 -59.47 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.95 -1.093 . . . . 0.0 109.966 -178.668 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.04 -41.45 79.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.453 -0.779 . . . . 0.0 110.274 -179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.43 73.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.016 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.22 -39.93 88.36 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.324 -0.86 . . . . 0.0 108.822 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.9 -41.3 97.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.369 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.23 -41.47 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.948 -1.095 . . . . 0.0 108.119 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.35 -40.01 85.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.42 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.76 -17.73 57.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.648 -0.658 . . . . 0.0 110.325 179.639 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -93.86 -39.82 10.5 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.056 -1.028 . . . . 0.0 109.791 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -59.95 132.73 54.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 108.986 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.76 -35.48 60.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.258 -0.901 . . . . 0.0 111.258 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -40.07 76.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.922 -1.111 . . . . 0.0 109.902 -178.605 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 34.5 m -85.53 -2.94 58.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.979 -1.076 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.0 tp-100 -65.49 -50.4 65.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.002 -1.061 . . . . 0.0 109.979 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.054 -1.029 . . . . 0.0 109.013 179.697 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.487 0.661 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.85 142.74 33.86 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.41 0.624 . . . . 0.0 110.257 -179.495 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.07 -38.33 82.52 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.161 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.02 -13.42 0.32 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.01 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' ASP . 50.1 mt -60.83 -40.21 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -1.133 . . . . 0.0 108.552 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.1 -39.92 87.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.049 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.74 -39.11 93.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.19 76.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.773 . . . . 0.0 109.628 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.98 -40.55 89.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.018 -1.051 . . . . 0.0 108.896 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.03 -40.03 94.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 110.071 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.81 5.96 49.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -178.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.04 -44.21 41.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.856 -1.153 . . . . 0.0 109.313 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.78 -36.22 82.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.0 109.995 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.01 -14.78 46.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 58.73 -132.04 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 109.741 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -86.86 -0.56 56.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.285 -0.884 . . . . 0.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.95 78.32 6.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.95 -1.094 . . . . 0.0 109.443 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CZ2' ' NE ' ' A' ' 20' ' ' ARG . 64.3 p-90 -71.28 -20.96 62.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.171 -0.956 . . . . 0.0 109.34 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' NE ' ' CZ2' ' A' ' 19' ' ' TRP . 28.5 mmt180 -61.37 -40.1 93.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.188 -0.945 . . . . 0.0 109.618 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.95 93.98 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.321 -0.862 . . . . 0.0 108.988 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -59.92 -50.0 75.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.366 -0.834 . . . . 0.0 109.252 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.056 -1.028 . . . . 0.0 108.875 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -67.03 -37.23 83.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.716 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -69.99 -46.4 65.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.877 . . . . 0.0 109.928 -179.302 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.9 -0.82 50.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.366 -0.834 . . . . 0.0 109.882 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' ALA . 67.8 m-20 52.17 49.17 21.17 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.226 -0.921 . . . . 0.0 110.612 179.2 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.93 151.77 49.29 Favored Pre-proline 0 N--CA 1.507 2.416 0 O-C-N 121.25 -0.907 . . . . 0.0 110.163 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.43 159.55 10.48 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.704 1.603 . . . . 0.0 110.606 177.463 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.83 -19.8 40.8 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.392 2.061 . . . . 0.0 112.134 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.03 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.189 -0.944 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.44 -44.71 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.826 -1.171 . . . . 0.0 110.581 -178.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.73 -50.46 72.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.795 -1.19 . . . . 0.0 109.704 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.49 -39.97 89.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 110.267 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -42.38 94.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.234 -0.916 . . . . 0.0 110.2 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.88 -47.5 92.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 108.938 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.83 -45.52 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.076 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 110.299 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 m -96.06 -20.98 18.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.919 -1.113 . . . . 0.0 110.246 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.37 139.92 56.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.932 -1.105 . . . . 0.0 108.739 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.77 -39.92 66.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.245 -0.909 . . . . 0.0 111.053 -178.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -70.06 -40.02 75.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.919 -1.113 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.4 7.29 17.19 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.758 -1.214 . . . . 0.0 109.378 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -75.17 -67.64 0.63 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.342 -0.849 . . . . 0.0 109.898 -179.209 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.758 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.548 0.689 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.82 142.81 33.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.628 -0.67 . . . . 0.0 110.243 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.4 m-20 -59.97 -38.44 82.54 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.114 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -13.24 0.33 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.9 mt -60.79 -40.27 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -1.141 . . . . 0.0 108.54 178.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -40.06 88.22 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.62 -39.1 92.73 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.1 76.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.408 -0.807 . . . . 0.0 109.573 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -40.5 89.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.046 -1.034 . . . . 0.0 108.926 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.0 -40.11 94.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.375 -0.828 . . . . 0.0 110.013 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.69 5.93 50.02 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.253 -0.904 . . . . 0.0 110.609 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.13 -44.23 42.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -36.19 82.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -178.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.97 -14.87 46.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.972 -1.08 . . . . 0.0 109.531 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 58.73 -131.98 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.845 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -86.85 -0.63 56.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 110.058 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.0 78.53 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 109.421 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.515 ' CZ2' ' NE ' ' B' ' 20' ' ' ARG . 64.4 p-90 -71.42 -20.79 62.07 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.323 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NE ' ' CZ2' ' B' ' 19' ' ' TRP . 28.5 mmt180 -61.44 -40.17 93.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.925 . . . . 0.0 109.561 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.01 94.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -60.06 -49.93 75.71 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.401 -0.812 . . . . 0.0 109.24 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.55 -39.97 85.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.112 -0.992 . . . . 0.0 108.697 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -66.86 -37.36 84.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.726 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -70.0 -46.56 64.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 110.018 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.65 -0.9 51.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.372 -0.83 . . . . 0.0 109.887 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' B' ' 23' ' ' ALA . 68.0 m-20 52.11 49.44 20.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.168 -0.958 . . . . 0.0 110.486 179.167 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -118.07 151.73 49.44 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.32 -0.862 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.43 159.54 10.49 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.631 1.554 . . . . 0.0 110.63 177.578 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.66 -19.96 40.12 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.331 2.021 . . . . 0.0 112.137 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -50.1 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.97 -179.294 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.41 -44.53 71.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.739 -1.226 . . . . 0.0 110.567 -178.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.65 71.6 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.797 -1.189 . . . . 0.0 109.681 -179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.34 -39.95 88.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 0.0 110.271 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.01 -42.45 94.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.231 -0.918 . . . . 0.0 110.053 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -61.8 -47.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.179 -0.951 . . . . 0.0 108.985 -179.68 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.95 -45.4 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.181 -0.949 . . . . 0.0 109.009 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -63.25 -26.4 68.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.624 -0.673 . . . . 0.0 110.249 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -96.12 -20.96 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.988 -1.07 . . . . 0.0 110.28 -179.234 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.31 139.89 56.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.889 -1.132 . . . . 0.0 108.763 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.66 -40.04 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.189 -0.944 . . . . 0.0 111.071 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.959 -1.088 . . . . 0.0 110.908 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -83.43 6.96 18.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 109.293 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -74.98 -67.17 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.164 -0.96 . . . . 0.0 109.938 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 109.363 -179.845 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.35 143.12 30.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.415 -0.803 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.12 -39.96 88.1 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.007 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.59 -10.88 0.42 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.4 mt -60.16 -38.61 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -1.153 . . . . 0.0 108.805 178.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.5 -38.91 85.85 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.405 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.45 76.81 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.472 -0.768 . . . . 0.0 110.233 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.93 -42.99 95.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.942 -1.099 . . . . 0.0 109.13 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.89 -38.73 89.43 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.502 -0.749 . . . . 0.0 109.914 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.55 5.74 50.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 110.726 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.31 -42.4 41.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 109.079 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.85 -36.93 80.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.395 -0.816 . . . . 0.0 110.024 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.882 . . . . 0.0 110.1 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -87.96 -12.35 44.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.912 -1.117 . . . . 0.0 108.656 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 58.49 -137.33 0.86 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.407 0.622 . . . . 0.0 110.442 179.134 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.3 p -81.3 -8.61 59.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.398 -0.814 . . . . 0.0 110.123 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.67 76.3 6.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 109.527 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -70.25 -23.31 62.88 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.243 -0.911 . . . . 0.0 109.334 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.38 -41.29 93.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.049 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.34 89.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.024 -1.047 . . . . 0.0 108.481 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.5 ttp -62.94 -45.32 93.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.418 -0.801 . . . . 0.0 109.303 179.258 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.44 -39.97 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.997 -1.064 . . . . 0.0 109.124 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 t -68.34 -35.73 78.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -0.763 . . . . 0.0 109.692 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -69.4 -42.95 74.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.325 -0.86 . . . . 0.0 109.706 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.61 -0.4 54.5 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.513 -0.742 . . . . 0.0 109.461 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ALA . 97.9 m-20 52.39 49.94 19.4 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.247 -0.908 . . . . 0.0 110.495 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 mt -120.93 151.47 54.95 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.45 161.26 46.65 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.338 2.025 . . . . 0.0 111.89 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.0 -24.52 25.06 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.857 2.371 . . . . 0.0 112.45 -179.651 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.99 -50.03 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.969 -1.082 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.0 -43.6 51.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.054 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.51 69.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.895 . . . . 0.0 109.716 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.01 -40.08 88.02 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.695 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.94 -40.09 91.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.66 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.21 -42.82 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 108.175 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.21 -39.69 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.345 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.62 60.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.793 -0.567 . . . . 0.0 110.609 -179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -95.13 -27.44 15.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.978 -1.076 . . . . 0.0 110.15 -178.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -60.1 139.9 57.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.97 -1.081 . . . . 0.0 108.586 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.49 -33.78 54.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.009 -1.057 . . . . 0.0 110.105 -179.304 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.52 -40.0 70.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 0.0 110.929 -178.715 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.4 m -81.26 -9.68 59.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.907 -1.121 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -68.96 -59.99 2.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.958 -1.089 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.129 -0.982 . . . . 0.0 108.868 179.083 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -100.74 142.79 31.73 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.12 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.8 m-20 -60.02 -39.86 87.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.151 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 -11.29 0.41 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.447 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.3 mt -59.99 -38.63 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -1.133 . . . . 0.0 108.736 179.106 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.013 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -60.66 -38.67 85.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.55 77.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.504 -0.748 . . . . 0.0 110.25 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.98 -43.11 95.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.915 -1.116 . . . . 0.0 109.026 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.78 -38.36 87.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.99 6.36 48.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.281 -0.887 . . . . 0.0 110.765 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -49.69 -42.35 45.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.819 -1.176 . . . . 0.0 109.132 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.0 -36.81 80.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.922 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 0.0 110.158 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.88 -12.48 44.68 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 108.715 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 58.66 -137.31 0.85 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.684 -0.635 . . . . 0.0 110.377 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.4 p -81.48 -8.47 59.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.75 76.14 6.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.607 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -70.24 -22.96 62.84 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.61 -41.05 93.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.881 . . . . 0.0 109.957 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.19 88.41 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.431 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.15 -45.27 92.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.387 -0.821 . . . . 0.0 109.194 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.28 -40.17 77.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.04 -1.038 . . . . 0.0 109.196 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.32 -35.54 77.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.798 . . . . 0.0 109.645 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -69.39 -43.05 74.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.74 -0.15 54.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.566 -0.709 . . . . 0.0 109.532 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.9 m-20 52.14 50.01 19.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.924 . . . . 0.0 110.401 179.212 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -120.97 151.28 54.79 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.22 160.97 47.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.397 2.064 . . . . 0.0 111.91 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.88 -24.47 24.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.802 2.335 . . . . 0.0 112.499 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.93 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.921 -1.112 . . . . 0.0 109.428 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.1 -43.79 50.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.49 69.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.237 -0.914 . . . . 0.0 109.694 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.93 -40.02 87.47 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.793 179.108 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.13 -40.03 92.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 109.661 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.87 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.127 . . . . 0.0 108.129 179.529 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.49 -39.45 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.414 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -21.44 61.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.796 -0.565 . . . . 0.0 110.574 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -95.35 -27.46 15.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.865 -1.147 . . . . 0.0 110.165 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -60.03 139.79 57.23 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.991 -1.068 . . . . 0.0 108.54 179.387 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -77.44 -33.76 54.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 0.0 110.178 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.48 -40.1 70.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.0 m -81.1 -9.46 59.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.932 -1.105 . . . . 0.0 110.555 -179.33 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.14 -60.16 2.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.831 -1.168 . . . . 0.0 109.397 -179.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 108.862 178.978 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.18 138.25 36.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.772 . . . . 0.0 111.054 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 85.1 m-20 -59.92 -39.05 84.13 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.64 -11.73 0.17 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.4 mt -60.0 -32.28 49.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.426 -1.043 . . . . 0.0 108.343 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.84 -39.36 84.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.776 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.87 -39.7 95.24 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -38.71 82.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -42.14 93.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.916 -1.115 . . . . 0.0 109.208 -179.369 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.39 -40.03 89.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.407 -0.808 . . . . 0.0 110.13 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.24 0.86 57.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.885 . . . . 0.0 110.106 -178.62 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -49.67 -43.32 47.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 109.144 179.564 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.49 -40.06 89.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.427 -0.796 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 53.8 tptt -61.11 -39.91 91.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.888 . . . . 0.0 109.842 -179.103 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -87.31 -13.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.867 -1.146 . . . . 0.0 109.029 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 26.8 m80 58.99 -138.5 0.77 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.503 -0.748 . . . . 0.0 110.298 179.197 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -82.12 -3.79 55.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 110.395 -179.171 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.09 76.97 5.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.799 -1.188 . . . . 0.0 109.217 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.69 -26.08 63.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.382 -0.824 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.12 -41.23 92.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -0.854 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.65 80.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.311 -0.868 . . . . 0.0 109.262 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.9 ttp -61.68 -41.51 97.65 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 0.0 109.601 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.07 82.58 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.076 . . . . 0.0 109.424 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.0 m -65.17 -40.1 93.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.404 -0.81 . . . . 0.0 110.282 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.09 -39.91 75.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.068 -1.02 . . . . 0.0 110.918 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -94.46 -0.55 54.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 51.6 50.04 19.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.444 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.13 151.71 45.96 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.496 -0.752 . . . . 0.0 109.342 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.3 Cg_endo -73.34 149.04 44.46 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.82 1.68 . . . . 0.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.96 -22.91 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.114 1.876 . . . . 0.0 112.61 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.26 -54.87 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.077 -1.015 . . . . 0.0 110.188 -179.322 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.86 -41.16 61.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.025 -1.047 . . . . 0.0 110.058 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.69 68.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.095 -1.003 . . . . 0.0 109.467 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -60.26 -39.85 88.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.147 -0.97 . . . . 0.0 109.261 178.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.13 -39.99 94.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 0.0 110.346 -179.282 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.43 -40.02 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 179.68 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.62 -40.12 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -16.69 39.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.839 -0.538 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -95.7 -38.26 10.43 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.012 -1.055 . . . . 0.0 109.974 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.55 135.37 57.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.083 -1.011 . . . . 0.0 109.02 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -78.17 -36.02 48.07 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.15 -0.969 . . . . 0.0 110.886 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -70.11 -40.13 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.151 -0.968 . . . . 0.0 110.891 -178.166 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.99 -8.44 59.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.905 -1.122 . . . . 0.0 109.924 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.531 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 54.0 tp60 -69.16 -59.86 2.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.643 -179.305 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.474 -0.766 . . . . 0.0 109.572 -179.807 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.5 mt -99.16 138.16 36.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.53 -0.731 . . . . 0.0 110.976 -178.832 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 85.1 m-20 -60.11 -38.78 84.0 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.533 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.88 -11.63 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.191 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.9 mt -60.02 -32.08 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.34 -1.094 . . . . 0.0 108.361 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.95 -39.2 84.75 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.661 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.91 -39.89 95.92 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.12 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.81 81.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.407 -0.808 . . . . 0.0 110.265 -179.414 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.04 -42.2 93.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.034 -1.041 . . . . 0.0 109.192 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.47 -40.01 89.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -0.765 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.14 0.81 56.98 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.21 -0.931 . . . . 0.0 110.185 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -49.62 -43.32 46.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 109.168 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -60.53 -40.07 90.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.556 -0.715 . . . . 0.0 109.554 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 53.8 tptt -60.75 -40.18 91.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.377 -0.827 . . . . 0.0 109.771 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -87.21 -13.57 43.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.897 -1.127 . . . . 0.0 109.005 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 27.0 m80 59.24 -138.2 0.76 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.561 -0.712 . . . . 0.0 110.437 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 t -82.43 -3.81 56.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.281 -179.165 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.0 77.05 5.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.915 -1.116 . . . . 0.0 109.203 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.75 -26.44 63.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.417 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -41.08 91.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -45.89 79.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.211 -0.93 . . . . 0.0 109.121 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -61.57 -41.59 97.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.372 -0.83 . . . . 0.0 109.606 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.032 -1.043 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -65.2 -40.01 93.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.343 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.0 -40.25 75.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.736 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.37 -0.23 55.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.003 -1.061 . . . . 0.0 109.443 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 51.33 50.2 19.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 0.0 110.385 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -115.09 151.67 45.88 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.485 -0.759 . . . . 0.0 109.312 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 60.1 Cg_endo -73.33 149.03 44.48 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.88 1.72 . . . . 0.0 110.966 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.98 -22.64 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.96 1.773 . . . . 0.0 112.612 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -59.7 -54.89 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.943 -1.098 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.72 -40.84 61.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.84 -1.163 . . . . 0.0 110.002 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.78 68.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.086 -1.009 . . . . 0.0 109.433 -179.338 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 109.408 178.732 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -61.96 -39.96 93.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.92 . . . . 0.0 110.341 -179.307 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.36 -40.16 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.64 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HA ' HE22 ' B' ' 44' ' ' GLN . . . -60.5 -16.6 38.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.78 -0.575 . . . . 0.0 110.323 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -95.75 -38.36 10.37 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.013 -1.055 . . . . 0.0 109.885 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -60.47 135.31 57.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.102 -0.999 . . . . 0.0 109.21 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.23 -35.85 47.84 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.18 -0.95 . . . . 0.0 110.837 -179.234 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.26 -40.1 74.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.16 -0.963 . . . . 0.0 110.891 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -81.91 -8.46 59.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.865 -1.147 . . . . 0.0 109.927 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.531 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 9.4 tp-100 -69.14 -59.45 3.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -1.0 . . . . 0.0 109.699 -179.355 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.37 -0.831 . . . . 0.0 109.46 -179.731 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.6 141.58 35.18 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.688 0.756 . . . . 0.0 111.297 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.5 m-20 -60.09 -39.98 88.02 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.703 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.28 -13.17 0.22 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.1 mt -60.01 -35.54 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.36 -1.082 . . . . 0.0 108.403 178.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.93 -38.06 81.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.511 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.86 -40.11 94.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.289 -0.882 . . . . 0.0 108.985 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.47 78.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.427 -0.796 . . . . 0.0 109.757 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.03 -40.83 90.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.965 . . . . 0.0 109.575 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.96 89.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.987 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -98.22 9.81 42.08 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.21 -0.931 . . . . 0.0 110.439 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.56 -42.29 33.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.795 -1.191 . . . . 0.0 109.695 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 77.9 mm-40 -60.92 -35.49 76.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 0.0 109.731 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -60.09 -37.52 80.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.165 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.55 31.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.86 -1.15 . . . . 0.0 109.687 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 75.8 m-70 58.06 -134.07 1.1 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.345 -0.847 . . . . 0.0 110.012 179.563 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -82.4 -7.1 59.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.334 -0.854 . . . . 0.0 110.053 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 109.323 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -69.95 -25.1 63.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 0.0 109.473 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.19 89.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.268 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.87 89.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 109.017 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.9 ttp -60.61 -44.01 96.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.658 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.97 -40.58 89.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 109.448 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -66.65 -37.82 85.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.82 -42.84 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.52 -179.021 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -94.77 -2.49 50.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.49 -0.757 . . . . 0.0 109.307 179.548 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.6 m120 52.55 49.98 19.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.843 . . . . 0.0 110.636 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.06 152.49 50.44 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.501 -0.75 . . . . 0.0 109.196 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.85 160.98 47.68 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.316 2.01 . . . . 0.0 111.5 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.29 -21.5 29.26 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.476 2.117 . . . . 0.0 111.768 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 109.63 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.8 t -75.15 -44.27 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 110.271 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.98 83.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.46 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.98 -39.89 87.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.021 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.04 -40.02 96.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.45 -0.781 . . . . 0.0 110.199 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.12 -41.53 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.945 -1.097 . . . . 0.0 108.061 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.37 -40.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 177.917 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.61 51.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.615 -0.678 . . . . 0.0 109.511 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -87.02 -48.14 8.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.18 -0.95 . . . . 0.0 108.943 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.1 129.17 40.84 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.3 -30.5 48.4 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.13 -43.26 64.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.127 -0.983 . . . . 0.0 110.999 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.46 -22.62 43.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.731 -1.231 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -67.95 -49.48 61.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.847 -1.158 . . . . 0.0 110.041 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.159 -0.963 . . . . 0.0 109.043 -179.976 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.66 141.57 35.26 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.79 0.805 . . . . 0.0 111.247 -178.538 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.5 m-20 -60.07 -40.01 87.99 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.694 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.37 -13.2 0.23 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.0 mt -59.92 -35.6 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.363 -1.08 . . . . 0.0 108.307 178.868 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.84 -38.11 81.13 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.81 -40.14 94.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 0.0 109.013 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.36 78.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.01 -41.12 91.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.24 -39.93 88.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -98.33 9.83 42.13 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.295 -0.878 . . . . 0.0 110.433 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.52 -42.16 32.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.779 -1.2 . . . . 0.0 109.728 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 77.8 mm-40 -61.12 -35.29 76.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.22 -37.52 80.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 0.0 110.219 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.5 31.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.896 -1.127 . . . . 0.0 109.62 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 75.7 m-70 58.11 -134.05 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.235 -0.915 . . . . 0.0 109.97 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 t -82.37 -7.12 59.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.019 -1.051 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.02 -25.04 63.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -40.05 89.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 110.271 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.79 89.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 109.058 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.1 ttp -60.65 -44.02 96.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.429 -0.794 . . . . 0.0 109.674 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -40.54 89.54 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.097 -1.002 . . . . 0.0 109.358 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -66.72 -37.79 85.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.865 . . . . 0.0 110.185 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.84 -42.81 76.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 109.508 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -94.81 -2.6 50.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.309 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.5 m120 52.62 50.03 19.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.55 179.214 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.96 152.53 50.34 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.451 -0.781 . . . . 0.0 109.205 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.94 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 122.377 2.051 . . . . 0.0 111.439 179.291 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.13 -21.67 28.71 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.464 2.11 . . . . 0.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.76 -50.02 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 109.541 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.23 -44.42 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 0.0 110.287 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.75 84.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.019 . . . . 0.0 109.561 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.11 -39.95 87.97 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.154 -0.966 . . . . 0.0 108.957 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.05 -39.98 96.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.1 -41.64 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 108.017 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.36 -40.04 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.46 -19.76 50.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 0.0 109.592 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -87.08 -48.19 8.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -0.926 . . . . 0.0 108.993 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.06 129.0 40.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.2 -30.44 48.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.048 -1.032 . . . . 0.0 110.064 -179.157 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -72.28 -43.19 64.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 111.053 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -79.4 -22.62 44.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.832 -1.168 . . . . 0.0 110.645 -179.261 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -68.15 -49.26 62.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.863 -1.148 . . . . 0.0 110.089 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 179.797 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -101.8 144.94 29.84 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.422 0.629 . . . . 0.0 110.479 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.7 m-20 -60.1 -39.42 86.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.62 -15.0 0.13 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 60.4 mt -60.81 -41.71 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.273 -1.133 . . . . 0.0 109.107 179.259 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -62.4 -39.99 95.05 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.661 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 60.9 tttp -63.96 -38.03 89.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.94 73.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 110.299 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.002 -1.061 . . . . 0.0 110.455 -178.837 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 52.9 mp0 -99.8 11.73 38.5 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.006 -1.059 . . . . 0.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.7 -40.33 27.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.885 -1.134 . . . . 0.0 109.7 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.13 -39.85 87.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 109.908 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.5 -35.27 77.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.896 . . . . 0.0 110.119 -178.577 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.75 -16.07 37.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.185 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 58.38 -138.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.292 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -82.47 -6.61 59.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 80.48 4.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.039 -1.038 . . . . 0.0 109.743 -179.467 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.79 63.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.395 -0.816 . . . . 0.0 109.004 179.31 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.17 -39.93 88.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.395 -0.815 . . . . 0.0 109.354 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.503 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.7 ttm -60.12 -46.62 89.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.356 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.89 . . . . 0.0 109.746 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -67.06 -35.06 79.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.309 -0.869 . . . . 0.0 109.81 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -69.97 -44.77 68.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.925 . . . . 0.0 109.741 -179.353 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.28 -0.08 50.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.74 . . . . 0.0 109.82 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.7 m-20 53.06 45.28 29.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 110.532 179.154 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 31.4 mt -114.23 150.92 44.48 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.176 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.6 Cg_endo -70.79 152.72 64.22 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.923 1.749 . . . . 0.0 111.594 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -40.64 -19.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.354 2.036 . . . . 0.0 112.75 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.1 t -59.93 -50.11 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.091 -1.005 . . . . 0.0 110.623 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.01 -43.46 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 110.94 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.2 82.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.866 -1.146 . . . . 0.0 109.217 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -59.95 -40.1 87.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.172 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.42 -40.43 94.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.386 -0.821 . . . . 0.0 110.18 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -62.87 -40.49 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.971 -1.081 . . . . 0.0 108.734 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.52 -40.04 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.168 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.12 -16.4 7.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.694 -0.629 . . . . 0.0 109.568 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -93.88 -46.82 7.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.082 -1.011 . . . . 0.0 108.901 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.87 126.18 26.61 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.695 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.99 -22.01 46.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 0.0 109.743 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -76.91 -47.04 22.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 0.0 110.329 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.2 m -79.04 -29.98 43.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.247 -179.451 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -70.57 -59.85 2.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.014 -1.054 . . . . 0.0 110.461 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.238 -0.913 . . . . 0.0 109.657 -179.112 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.89 144.98 29.86 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.482 0.658 . . . . 0.0 110.524 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.9 m-20 -59.86 -39.94 86.93 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.22 -15.03 0.11 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.191 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' ASP . 59.6 mt -60.93 -41.71 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.315 -1.109 . . . . 0.0 109.021 179.241 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.31 -40.06 95.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 108.534 178.568 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 60.9 tttp -63.8 -38.1 89.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.643 -0.66 . . . . 0.0 109.505 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.91 73.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.06 -39.98 87.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.0 110.189 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.977 -1.077 . . . . 0.0 110.52 -178.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 53.0 mp0 -99.83 11.88 38.14 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.041 -1.037 . . . . 0.0 111.042 -179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -48.9 -40.35 29.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.859 -1.151 . . . . 0.0 109.765 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -39.79 87.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.998 -179.763 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -35.22 77.39 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.176 -0.953 . . . . 0.0 109.997 -178.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.62 -15.98 38.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.794 -1.191 . . . . 0.0 109.236 179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 58.29 -138.22 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.47 -0.769 . . . . 0.0 110.349 179.198 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.0 p -82.65 -6.68 59.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.686 . . . . 0.0 110.302 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 80.41 4.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.0 109.765 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.71 63.19 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.352 -0.842 . . . . 0.0 109.007 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.26 -40.15 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.256 -0.902 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.62 91.5 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.499 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.7 ttm -60.01 -46.69 88.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.866 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.92 -39.99 87.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 0.0 109.743 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -67.37 -34.97 78.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -70.0 -44.87 68.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.216 -0.928 . . . . 0.0 109.698 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -96.29 0.08 50.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.482 -0.761 . . . . 0.0 109.904 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' ALA . 76.4 m-20 53.12 45.18 29.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -0.852 . . . . 0.0 110.528 179.032 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 31.0 mt -114.03 150.91 44.32 Favored Pre-proline 0 N--CA 1.503 2.176 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.211 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.6 Cg_endo -70.82 152.88 64.19 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.859 1.706 . . . . 0.0 111.547 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.68 -20.18 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.336 2.024 . . . . 0.0 112.922 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.93 -49.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.048 -1.033 . . . . 0.0 110.414 -178.812 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.21 -43.46 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -178.228 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.04 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.892 -1.13 . . . . 0.0 109.252 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 109.163 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.56 -40.23 93.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.5 -0.75 . . . . 0.0 110.376 -179.33 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.499 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -62.93 -40.22 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.066 -1.021 . . . . 0.0 108.635 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.7 -39.99 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.212 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.01 7.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.667 -0.646 . . . . 0.0 109.612 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -94.03 -46.93 6.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.022 -1.049 . . . . 0.0 108.895 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.71 126.15 26.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 108.811 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -78.97 -21.98 46.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.001 . . . . 0.0 109.678 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.89 -46.84 23.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 110.423 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -79.15 -30.06 43.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -0.95 . . . . 0.0 110.25 -179.544 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -70.41 -59.85 2.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.983 -1.073 . . . . 0.0 110.422 -179.372 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.096 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -100.04 140.63 33.99 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.767 0.794 . . . . 0.0 111.028 -178.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -60.05 -38.01 81.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.67 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.35 -13.01 0.21 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.027 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.4 mt -60.61 -39.72 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.372 -1.075 . . . . 0.0 108.999 178.885 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.096 -1.002 . . . . 0.0 108.501 179.36 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -61.56 -39.25 90.42 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.526 -0.734 . . . . 0.0 109.337 179.574 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 -38.38 74.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.153 -0.967 . . . . 0.0 109.586 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.0 -42.53 94.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.126 -0.983 . . . . 0.0 109.103 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.44 -39.95 95.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.528 -0.732 . . . . 0.0 110.073 -179.872 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -94.56 6.8 47.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.871 . . . . 0.0 110.237 -178.653 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -51.07 -34.3 29.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.092 -1.005 . . . . 0.0 109.396 179.631 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 81.2 mm-40 -60.07 -37.82 81.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 0.0 109.827 -179.193 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.07 -35.72 81.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.096 -1.002 . . . . 0.0 109.947 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.82 -20.02 28.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.925 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 30.1 m-70 59.37 -136.73 0.79 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 0.0 110.011 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -86.07 -2.9 58.75 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.272 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.48 82.31 6.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.802 -1.186 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -70.7 -19.16 62.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.053 -1.029 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.45 HH11 ' HG3' ' A' ' 20' ' ' ARG . 19.0 mmm-85 -60.74 -48.01 83.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.945 . . . . 0.0 109.523 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.65 99.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.182 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.33 89.92 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.93 -42.33 93.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.85 -1.157 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 m -64.85 -40.03 94.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 110.435 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -69.96 -40.18 75.58 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 110.513 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -92.62 -1.33 56.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.108 -0.995 . . . . 0.0 108.891 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.3 m-20 50.97 49.47 21.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.417 -0.802 . . . . 0.0 110.234 179.418 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 mt -116.89 151.74 47.76 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.548 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.46 152.37 43.56 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.133 1.889 . . . . 0.0 111.748 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -41.0 -26.24 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.495 2.13 . . . . 0.0 113.297 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.89 -50.43 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.886 -1.134 . . . . 0.0 110.347 -178.381 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -74.3 -41.84 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.105 -0.997 . . . . 0.0 109.702 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.23 86.74 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.309 -0.869 . . . . 0.0 108.818 -179.737 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.369 -0.832 . . . . 0.0 108.975 178.655 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -64.22 -40.56 96.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.04 -42.77 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.885 -1.134 . . . . 0.0 108.215 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.7 t -65.16 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.37 68.49 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.643 -179.613 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -88.08 -36.62 16.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 109.7 -178.807 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.17 129.65 42.95 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.98 -27.57 54.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.065 -1.022 . . . . 0.0 110.152 -179.136 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.01 -40.14 68.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.011 -1.056 . . . . 0.0 110.112 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -86.94 1.33 53.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 109.907 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.2 -70.04 0.51 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -0.999 . . . . 0.0 109.681 -179.511 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.848 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.06 140.6 34.06 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.81 0.814 . . . . 0.0 110.986 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.7 m-20 -60.04 -37.98 81.39 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.33 -12.99 0.2 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.108 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.4 mt -60.68 -39.6 82.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -1.096 . . . . 0.0 108.96 178.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.07 -39.29 85.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.561 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -61.46 -39.08 89.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.396 179.533 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.23 74.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.592 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.05 -42.37 94.35 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.19 -0.944 . . . . 0.0 109.219 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.68 -39.94 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.009 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -94.65 6.89 47.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 -178.676 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -51.06 -34.46 30.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.339 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 81.2 mm-40 -59.98 -37.63 80.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.911 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.25 -35.51 80.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.887 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.96 -20.11 27.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.03 -1.043 . . . . 0.0 109.929 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 30.3 m-70 59.52 -136.68 0.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 110.065 179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -86.12 -2.85 58.72 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.0 110.505 -179.351 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.52 82.47 6.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.871 -1.143 . . . . 0.0 109.581 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.405 ' CZ2' ' HD2' ' B' ' 20' ' ' ARG . 67.3 p-90 -70.86 -19.15 62.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.079 -1.013 . . . . 0.0 109.118 179.694 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' B' ' 20' ' ' ARG . 19.0 mmm-85 -60.64 -48.09 83.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 109.502 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.64 99.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.32 -0.863 . . . . 0.0 109.236 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.59 88.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.182 -0.949 . . . . 0.0 109.751 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.65 -42.41 92.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.843 -1.161 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.3 m -64.79 -39.97 94.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.144 -0.973 . . . . 0.0 110.469 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -70.12 -39.96 75.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.995 -1.066 . . . . 0.0 110.535 -179.361 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -92.67 -1.31 56.96 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.028 -1.045 . . . . 0.0 108.908 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 86.3 m-20 51.01 49.42 21.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.415 -0.803 . . . . 0.0 110.143 179.331 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.94 151.69 47.74 Favored Pre-proline 0 N--CA 1.502 2.144 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.38 152.51 44.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.028 1.819 . . . . 0.0 111.744 179.524 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -41.0 -26.34 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.524 2.149 . . . . 0.0 113.42 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -50.2 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.81 -1.181 . . . . 0.0 110.313 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.4 -41.88 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.09 -1.006 . . . . 0.0 109.759 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.39 86.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.268 -0.895 . . . . 0.0 108.824 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.894 . . . . 0.0 108.874 178.777 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.25 -40.53 96.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 110.474 -179.309 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.01 -42.66 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.995 -1.066 . . . . 0.0 108.29 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.22 -40.01 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.156 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.575 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.25 -27.21 68.29 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 -179.753 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -88.15 -36.86 16.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.977 -1.077 . . . . 0.0 109.45 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.11 129.84 43.82 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.158 -0.964 . . . . 0.0 108.475 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.16 -27.48 53.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 110.134 -179.094 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -72.08 -40.11 68.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.013 . . . . 0.0 110.107 -179.082 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -86.96 1.04 54.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 0.0 109.942 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.2 tp-100 -78.35 -69.97 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.713 -179.566 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.184 -0.947 . . . . 0.0 109.542 -179.882 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.94 140.3 33.31 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.456 0.646 . . . . 0.0 110.707 -178.92 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 5' ' ' ILE . 8.4 t70 -59.98 -36.63 77.56 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.785 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.58 -13.29 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.873 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.481 ' N ' ' C ' ' A' ' 3' ' ' ASP . 59.0 mt -61.98 -41.08 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.467 -1.02 . . . . 0.0 109.174 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.1 -39.0 93.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.273 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.07 72.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -0.86 . . . . 0.0 109.598 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.03 -41.31 91.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.032 . . . . 0.0 108.783 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.12 -35.68 81.1 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.498 -0.751 . . . . 0.0 109.379 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.96 2.82 56.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 110.523 -178.668 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.57 -41.37 30.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.983 -1.073 . . . . 0.0 109.629 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mt-10 -59.98 -39.05 84.34 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.349 -0.844 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -60.07 -39.23 85.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.505 -0.747 . . . . 0.0 109.964 -178.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.32 -16.73 36.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.868 -1.145 . . . . 0.0 109.577 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 42.7 m-70 58.82 -133.56 1.0 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 179.029 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -82.84 -9.24 59.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 -179.34 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.42 79.66 7.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.969 -1.082 . . . . 0.0 110.083 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.18 -23.32 62.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -40.37 92.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.326 -0.859 . . . . 0.0 110.295 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.21 88.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.35 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.77 -40.45 97.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.872 . . . . 0.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -39.97 84.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 0.0 109.708 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m -67.26 -36.24 81.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.883 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.84 -43.46 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 109.387 -179.608 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -93.05 -1.96 56.07 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 109.818 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.1 m120 52.32 50.06 19.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 179.237 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.05 153.72 49.67 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.482 -0.761 . . . . 0.0 109.062 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' VAL . 62.2 Cg_endo -74.21 149.96 41.54 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.842 1.694 . . . . 0.0 110.885 178.843 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -40.69 -21.09 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.082 1.855 . . . . 0.0 112.553 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.09 -49.85 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.026 -1.046 . . . . 0.0 110.468 -178.899 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.78 -40.03 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.044 -1.035 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.23 74.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.99 -1.069 . . . . 0.0 109.086 -179.2 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.48 -39.94 89.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.07 -40.06 94.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.386 -0.821 . . . . 0.0 110.285 -179.283 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.34 -41.27 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.033 -1.042 . . . . 0.0 108.442 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -39.94 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.136 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -26.83 65.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.733 -0.604 . . . . 0.0 110.378 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -94.87 -19.88 19.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.915 -1.115 . . . . 0.0 109.092 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 41' ' ' ASP . 14.6 t -60.58 155.02 19.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.306 -0.871 . . . . 0.0 108.909 179.002 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 90.8 m-20 -80.57 -69.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.188 -0.945 . . . . 0.0 111.506 -178.769 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -70.7 -37.18 73.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.63 -0.669 . . . . 0.0 112.14 -176.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.09 -24.82 61.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.518 -1.364 . . . . 0.0 111.623 -177.752 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -69.85 -41.2 75.21 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.364 -1.46 . . . . 0.0 109.77 -179.194 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.049 -1.032 . . . . 0.0 109.394 178.944 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.4 mt -98.92 140.11 33.57 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.413 0.625 . . . . 0.0 110.71 -178.831 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' B' ' 5' ' ' ILE . 8.3 t70 -59.89 -36.69 77.49 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 -13.3 0.46 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 178.915 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.484 ' N ' ' C ' ' B' ' 3' ' ' ASP . 58.6 mt -62.13 -40.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.448 -1.03 . . . . 0.0 109.167 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.08 -39.92 87.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 108.594 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.28 -38.86 92.56 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.249 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.09 72.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.329 -0.857 . . . . 0.0 109.492 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.9 -41.51 91.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.008 -1.057 . . . . 0.0 108.695 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.93 -35.64 80.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.501 -0.749 . . . . 0.0 109.462 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.0 2.81 56.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.357 -0.84 . . . . 0.0 110.562 -178.671 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -48.58 -41.18 29.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.902 -1.123 . . . . 0.0 109.63 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 93.0 mt-10 -60.12 -39.11 85.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.337 -0.852 . . . . 0.0 109.893 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -60.0 -39.49 85.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.806 . . . . 0.0 109.809 -178.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.06 -16.69 37.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.869 -1.145 . . . . 0.0 109.566 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 43.2 m-70 58.81 -133.76 0.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 110.385 178.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 t -82.76 -9.39 59.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 110.211 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.39 79.97 7.89 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.065 -1.022 . . . . 0.0 109.97 -179.606 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.27 -23.19 62.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 0.0 109.255 179.101 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.85 -40.38 92.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.343 -0.848 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.185 -0.947 . . . . 0.0 109.602 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.78 -40.23 96.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.33 -40.25 85.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 -179.863 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -66.94 -36.21 81.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.321 -0.862 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -69.82 -43.48 71.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.373 -179.658 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -93.12 -1.98 55.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.511 -0.743 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 52.33 50.02 19.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.499 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.11 153.6 49.73 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.499 -0.751 . . . . 0.0 109.026 179.582 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 61.8 Cg_endo -74.2 150.03 41.68 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.755 1.637 . . . . 0.0 110.91 178.918 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.61 -21.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.064 1.842 . . . . 0.0 112.507 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.6 t -60.05 -50.09 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.022 -1.049 . . . . 0.0 110.388 -178.839 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.69 -39.95 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.898 -1.126 . . . . 0.0 110.423 -179.029 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.2 74.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.059 . . . . 0.0 109.031 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.48 -39.94 89.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 109.709 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -62.01 -40.14 94.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 110.151 -179.219 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.26 -41.13 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.993 -1.067 . . . . 0.0 108.629 -179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.99 -39.89 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.181 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -27.15 66.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.756 -0.59 . . . . 0.0 110.216 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -94.55 -19.7 20.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.008 -1.057 . . . . 0.0 109.063 -179.82 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' B' ' 41' ' ' ASP . 14.8 t -60.67 154.92 20.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.263 -0.898 . . . . 0.0 108.933 178.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' B' ' 40' ' ' CYS . 91.8 m-20 -80.36 -69.65 0.58 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 111.449 -178.857 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -70.46 -37.18 74.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.551 -0.718 . . . . 0.0 112.217 -177.033 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.17 -25.02 61.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.583 -1.323 . . . . 0.0 111.642 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -69.6 -41.21 76.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.423 -1.423 . . . . 0.0 109.82 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 N--CA 1.498 1.943 0 O-C-N 120.972 -1.08 . . . . 0.0 109.459 178.895 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.608 0.718 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.7 145.96 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.732 0.777 . . . . 0.0 110.821 -179.392 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 47.0 t0 -60.04 -39.97 87.75 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.46 -16.52 0.58 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 179.553 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.01 -41.46 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.343 -1.092 . . . . 0.0 108.698 179.128 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.05 -38.89 92.29 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.619 -0.676 . . . . 0.0 109.585 -179.584 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.06 -41.91 93.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.122 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.61 -39.99 93.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -0.864 . . . . 0.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.57 3.51 55.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.241 -0.912 . . . . 0.0 110.655 -178.723 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.5 -42.29 43.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.796 -1.19 . . . . 0.0 109.397 -179.836 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -38.81 84.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.88 . . . . 0.0 109.959 179.837 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.3 -39.97 88.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.814 . . . . 0.0 110.565 -178.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.11 -14.83 45.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.95 -1.094 . . . . 0.0 109.835 -179.372 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 59.41 -134.09 0.89 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.44 -0.787 . . . . 0.0 110.523 179.437 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -84.31 -1.16 54.9 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.317 -0.864 . . . . 0.0 110.687 -178.914 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.45 6.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.868 -1.145 . . . . 0.0 109.883 -179.643 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.93 -27.73 65.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.97 -41.1 91.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.768 -179.313 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.88 82.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.952 . . . . 0.0 109.062 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.66 -42.96 99.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 109.474 179.577 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.0 85.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 0.0 109.248 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.33 -38.03 88.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.421 -0.8 . . . . 0.0 109.973 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.96 75.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.37 -0.03 53.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.15 -0.969 . . . . 0.0 109.397 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 51.62 48.5 22.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.368 -0.833 . . . . 0.0 110.066 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 mt -116.34 153.55 48.73 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.453 -0.779 . . . . 0.0 109.206 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 90.6 Cg_endo -76.21 149.92 32.5 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.047 1.832 . . . . 0.0 111.501 178.861 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -38.31 -22.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.435 2.09 . . . . 0.0 113.024 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -60.0 -52.47 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.767 -1.208 . . . . 0.0 110.338 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.5 -39.99 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.125 -0.984 . . . . 0.0 110.089 -179.417 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.3 78.3 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.165 -0.959 . . . . 0.0 108.985 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.68 -39.97 90.4 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 109.322 179.118 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.98 -40.84 96.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.495 -0.753 . . . . 0.0 110.662 -179.136 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.33 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.97 -1.081 . . . . 0.0 108.206 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.87 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.172 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.51 -20.37 59.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.832 -0.542 . . . . 0.0 110.535 -179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 m -94.44 -38.31 11.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.906 -1.121 . . . . 0.0 109.581 -179.232 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.91 130.54 47.24 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.196 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.43 -31.31 48.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.993 . . . . 0.0 110.794 -179.039 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -70.82 -40.21 72.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.847 -1.158 . . . . 0.0 109.991 -179.143 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.0 m -86.42 6.09 31.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.097 -1.002 . . . . 0.0 109.791 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.9 tp-100 -78.28 -69.87 0.53 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.44 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 109.328 -179.898 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.72 145.97 24.19 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.823 0.821 . . . . 0.0 110.876 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.449 ' C ' ' N ' ' B' ' 5' ' ' ILE . 47.4 t0 -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -16.4 0.57 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' B' ' 3' ' ' ASP . 79.8 mt -60.05 -41.52 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.274 -1.133 . . . . 0.0 108.689 179.16 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -65.17 -38.9 92.0 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.1 77.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.589 -0.695 . . . . 0.0 109.599 -179.601 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.11 -41.8 93.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.949 -1.094 . . . . 0.0 109.024 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.72 -39.98 93.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.358 -0.839 . . . . 0.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.46 3.4 55.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.232 -0.917 . . . . 0.0 110.775 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -42.45 40.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.753 -1.217 . . . . 0.0 109.436 -179.848 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.4 -0.813 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.24 -39.98 88.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 110.639 -178.899 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.06 -14.85 45.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.89 -1.131 . . . . 0.0 109.853 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 59.36 -134.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.324 -0.86 . . . . 0.0 110.438 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -84.08 -1.32 54.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.351 -0.843 . . . . 0.0 110.652 -178.848 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.52 6.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.859 -1.151 . . . . 0.0 109.972 -179.586 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -70.08 -27.7 64.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.397 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.96 -41.08 91.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 0.0 109.778 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.9 82.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.15 -0.969 . . . . 0.0 109.004 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.8 ttp -62.55 -42.95 99.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.88 85.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.11 -0.993 . . . . 0.0 109.278 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.46 -38.16 89.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.7 -40.03 76.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 110.481 -179.316 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.52 0.07 52.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.086 -1.009 . . . . 0.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 51.51 48.48 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.346 -0.846 . . . . 0.0 110.155 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -116.38 153.56 48.79 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.507 -0.746 . . . . 0.0 109.259 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 90.8 Cg_endo -76.21 149.97 32.56 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.039 1.826 . . . . 0.0 111.392 179.013 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.38 -22.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.426 2.084 . . . . 0.0 113.082 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.9 t -59.98 -52.6 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.912 -1.118 . . . . 0.0 110.186 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.37 -39.98 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.965 . . . . 0.0 110.164 -179.448 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.18 78.77 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.972 -1.08 . . . . 0.0 108.977 -179.03 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.74 -39.99 90.73 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 109.253 179.127 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.11 -40.86 97.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.649 -178.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.23 -40.05 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.028 -1.045 . . . . 0.0 108.251 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.84 -40.0 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.137 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.47 -20.68 60.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.792 -0.567 . . . . 0.0 110.613 -179.79 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.2 m -94.25 -38.31 11.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.924 -1.11 . . . . 0.0 109.662 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.9 130.46 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.105 -0.997 . . . . 0.0 108.422 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.4 -31.32 48.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.984 . . . . 0.0 110.797 -179.057 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.7 -40.44 72.85 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.955 -1.09 . . . . 0.0 110.026 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -86.21 5.99 31.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.154 -0.966 . . . . 0.0 109.809 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -78.12 -69.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 -179.714 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.262 -0.899 . . . . 0.0 109.366 -179.898 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.647 0.737 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.34 141.48 31.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.64 0.733 . . . . 0.0 110.729 -179.067 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.623 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.97 -15.28 0.16 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 63.6 mt -60.36 -40.6 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -1.129 . . . . 0.0 108.683 178.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.04 -35.84 82.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -37.25 76.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.89 -40.1 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.073 -1.017 . . . . 0.0 109.333 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.26 -40.02 88.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.57 1.91 56.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.029 -1.044 . . . . 0.0 110.927 -178.676 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.51 -41.09 29.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.798 -1.188 . . . . 0.0 108.922 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.99 -39.96 91.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.518 -0.739 . . . . 0.0 109.332 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.99 -40.06 92.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.321 -0.862 . . . . 0.0 109.609 -179.556 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.54 -18.12 32.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.623 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.5 m80 57.61 -128.8 1.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.486 -0.759 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -85.37 -9.05 58.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.501 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -78.07 74.91 4.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 0.0 109.654 -179.052 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.05 -25.1 63.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.572 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.5 -40.19 90.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.952 . . . . 0.0 109.681 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.09 89.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.344 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 ttp -61.88 -40.72 96.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 0.0 109.438 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.86 -40.0 82.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.017 -1.052 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.52 -40.02 77.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.93 -1.55 54.52 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.109 -0.994 . . . . 0.0 108.909 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.5 m120 52.09 50.09 19.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -0.785 . . . . 0.0 110.139 179.174 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.58 153.07 51.97 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.563 -0.711 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.49 154.69 45.31 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.971 1.78 . . . . 0.0 111.316 179.286 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.68 -21.5 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.18 1.92 . . . . 0.0 112.954 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.71 -57.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 110.46 -178.719 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.79 -40.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 110.132 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.15 70.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.397 178.922 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.19 -40.53 90.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.022 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.93 -41.29 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 108.326 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.05 -40.04 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.031 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.12 -18.53 58.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.564 -0.71 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -95.07 -40.45 9.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.033 -1.042 . . . . 0.0 109.919 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.3 130.55 46.72 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.008 -1.057 . . . . 0.0 108.614 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -76.42 -32.79 58.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 110.505 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.3 -39.92 74.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.414 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.78 -4.98 59.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.986 -1.071 . . . . 0.0 110.258 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -69.71 -58.21 4.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.059 -1.026 . . . . 0.0 109.509 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.223 -0.923 . . . . 0.0 109.843 -179.784 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.641 0.734 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.4 141.45 31.26 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.643 0.735 . . . . 0.0 110.709 -178.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -60.04 -39.86 87.36 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.683 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -15.39 0.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 178.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 63.6 mt -60.23 -40.63 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -1.143 . . . . 0.0 108.68 178.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.17 -35.7 81.9 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.362 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.1 76.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.516 -0.74 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.026 -1.046 . . . . 0.0 109.336 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.33 -39.99 89.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.168 -0.957 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.61 1.88 57.02 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.118 -0.989 . . . . 0.0 110.898 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.4 -41.1 28.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.826 -1.172 . . . . 0.0 108.904 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.95 -39.98 91.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.497 -0.752 . . . . 0.0 109.448 179.307 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.12 -40.01 92.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.557 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.45 -18.21 32.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 109.508 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.5 m80 57.71 -128.75 1.6 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.453 -0.779 . . . . 0.0 110.188 179.309 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 p -85.42 -8.93 58.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.0 110.479 -179.294 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.14 74.81 4.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 109.699 -179.029 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.0 -25.12 63.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.636 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.62 -40.02 90.35 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 109.63 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.06 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.325 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.95 -40.79 96.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 109.39 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.76 -40.01 82.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.88 -1.138 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.5 m -64.33 -39.99 95.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 110.16 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.66 -39.95 76.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.211 -0.931 . . . . 0.0 110.501 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -93.75 -1.63 54.81 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.094 -1.004 . . . . 0.0 108.962 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.5 m120 52.3 49.93 19.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.475 -0.766 . . . . 0.0 110.068 179.061 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -118.56 153.1 51.94 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.526 -0.734 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.56 154.56 44.87 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.996 1.797 . . . . 0.0 111.215 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.51 -21.67 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.153 1.902 . . . . 0.0 112.982 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.57 -57.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.017 -1.052 . . . . 0.0 110.494 -178.704 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.82 -39.96 76.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.221 -0.925 . . . . 0.0 110.182 -179.075 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.02 71.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.046 -1.034 . . . . 0.0 109.418 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.037 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.32 -40.22 89.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.389 -0.819 . . . . 0.0 109.994 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.22 -41.17 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.049 -1.032 . . . . 0.0 108.363 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.15 -39.95 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.54 58.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.681 -0.637 . . . . 0.0 110.17 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.2 m -95.13 -40.27 9.69 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.052 -1.03 . . . . 0.0 109.932 -179.198 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.41 130.5 46.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 108.536 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -76.41 -32.79 58.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.221 -0.925 . . . . 0.0 110.474 -179.101 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.29 -40.1 74.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 110.378 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.76 -4.76 59.25 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.019 -1.051 . . . . 0.0 110.203 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 66.2 tp60 -69.73 -58.27 4.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 109.509 -179.456 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.205 -0.935 . . . . 0.0 109.787 -179.703 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.13 138.43 37.21 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.705 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.9 m-20 -60.23 -36.88 78.73 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.342 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -12.13 0.19 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' ASP . 34.1 mt -59.91 -35.8 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.638 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 57.8 t0 -59.97 -37.06 78.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.39 -0.818 . . . . 0.0 109.244 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.09 -36.69 84.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 109.372 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.42 72.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.264 -0.898 . . . . 0.0 109.764 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.09 -41.2 92.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.079 -1.013 . . . . 0.0 109.588 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -40.01 94.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.36 5.8 50.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.184 -0.948 . . . . 0.0 110.652 -178.724 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.2 t -49.31 -41.74 39.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.868 -1.145 . . . . 0.0 109.137 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.38 -39.63 91.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.639 -0.663 . . . . 0.0 109.718 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 87.8 tttt -60.48 -39.81 89.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.212 -0.93 . . . . 0.0 110.062 -179.056 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.8 -13.02 43.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.983 -1.073 . . . . 0.0 109.634 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 29.8 m80 58.96 -139.02 0.76 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.434 -0.792 . . . . 0.0 110.242 179.058 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -83.9 -2.32 56.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -0.924 . . . . 0.0 110.342 -179.192 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.07 82.55 6.12 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.004 -1.06 . . . . 0.0 109.542 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.12 -29.18 66.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.477 -0.764 . . . . 0.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -60.11 -40.34 89.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.898 -1.126 . . . . 0.0 110.4 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.39 89.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.877 -1.139 . . . . 0.0 108.613 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.01 -44.77 96.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.535 -0.728 . . . . 0.0 109.587 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.93 -40.22 75.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.375 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -64.79 -39.73 94.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.404 -0.81 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.88 -39.99 75.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.067 -1.021 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.19 -3.08 57.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.041 . . . . 0.0 109.004 179.518 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 52.85 47.14 25.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.508 -0.745 . . . . 0.0 110.735 179.035 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 mt -117.48 151.34 48.07 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.444 -0.785 . . . . 0.0 108.975 179.621 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.37 153.98 55.91 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.862 1.708 . . . . 0.0 111.652 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.41 -24.14 0.22 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.656 2.237 . . . . 0.0 113.667 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.83 -53.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.99 -1.069 . . . . 0.0 110.112 -178.368 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.62 -40.88 62.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.375 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.33 70.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 0.0 109.56 -179.537 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.31 -39.98 88.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.94 -1.1 . . . . 0.0 109.328 178.552 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.2 -40.98 95.97 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.132 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.21 -40.17 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.744 -1.222 . . . . 0.0 107.908 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.07 -39.94 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.352 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.81 -19.74 30.74 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.667 -0.645 . . . . 0.0 109.787 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m -92.05 -44.51 8.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.073 -1.017 . . . . 0.0 108.719 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.61 123.95 18.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.622 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.64 -21.02 56.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.889 -1.132 . . . . 0.0 109.994 -179.473 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -78.52 -46.88 18.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.963 -1.086 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -79.05 -20.83 47.91 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.085 -1.01 . . . . 0.0 110.209 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.37 -69.09 0.56 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.895 -1.128 . . . . 0.0 108.971 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.351 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.07 138.25 37.4 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -0.843 . . . . 0.0 111.137 -178.691 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.8 m-20 -60.09 -36.73 78.06 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.267 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.77 -12.04 0.2 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.046 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 33.9 mt -59.93 -35.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.706 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 57.4 t0 -60.34 -37.03 79.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.541 -0.724 . . . . 0.0 109.143 179.243 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -62.82 -37.15 85.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.181 -0.949 . . . . 0.0 109.385 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.41 72.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 -179.479 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.91 -41.14 91.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 -40.06 94.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.47 5.99 49.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.155 -0.966 . . . . 0.0 110.64 -178.726 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -49.36 -41.7 39.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.748 -1.22 . . . . 0.0 108.928 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.49 -39.41 90.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.479 -0.763 . . . . 0.0 109.766 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 87.8 tttt -60.62 -40.05 90.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.037 -1.039 . . . . 0.0 110.053 -179.098 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -87.48 -12.95 44.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.032 -1.043 . . . . 0.0 109.709 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 29.5 m80 58.69 -139.13 0.78 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.496 -0.752 . . . . 0.0 110.207 179.145 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.99 -2.12 56.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -80.22 83.0 6.15 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.42 -28.99 65.49 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.485 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.3 -40.36 90.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.957 -1.089 . . . . 0.0 110.337 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.52 89.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.055 . . . . 0.0 108.629 179.551 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -61.81 -44.85 96.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.626 -0.671 . . . . 0.0 109.655 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.07 -40.01 76.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.144 -0.973 . . . . 0.0 109.381 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.7 m -64.71 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.419 -0.801 . . . . 0.0 110.28 -179.646 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.95 -40.08 75.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.917 -179.4 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.28 -2.96 57.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.119 -0.988 . . . . 0.0 108.918 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 86.9 m-20 52.64 47.43 24.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 0.0 110.718 178.944 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 mt -117.59 151.48 48.4 Favored Pre-proline 0 N--CA 1.503 2.206 0 O-C-N 121.353 -0.842 . . . . 0.0 108.841 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.34 154.01 56.07 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.9 1.733 . . . . 0.0 111.603 179.575 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -41.52 -24.04 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.659 2.239 . . . . 0.0 113.671 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.97 -53.0 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.863 -1.148 . . . . 0.0 110.071 -178.41 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -40.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.923 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.083 -1.011 . . . . 0.0 109.6 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.25 -40.02 88.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 178.698 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.09 -40.79 95.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 -179.181 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.23 -40.16 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.03 -40.2 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.183 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.8 -19.64 29.84 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.738 -179.645 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.6 m -92.1 -44.12 9.0 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.094 -1.003 . . . . 0.0 108.748 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.03 123.68 17.86 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.553 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.46 -20.82 56.63 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.851 -1.156 . . . . 0.0 110.088 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -78.79 -46.92 17.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.974 -1.079 . . . . 0.0 110.242 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.6 m -78.9 -21.0 48.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.051 -1.03 . . . . 0.0 110.225 -179.291 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.31 -69.49 0.53 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.975 -1.078 . . . . 0.0 108.89 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.4 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.9 mt -98.6 137.02 37.85 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.401 -0.812 . . . . 0.0 111.183 -178.654 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.4 m-20 -60.76 -39.05 87.3 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.44 -11.7 0.16 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.151 -1.58 . . . . 0.0 109.151 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 41.7 mt -59.79 -32.75 50.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.406 -1.055 . . . . 0.0 108.299 178.815 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.17 -0.956 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.77 -39.49 88.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.177 -0.952 . . . . 0.0 108.569 179.44 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.2 79.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.501 -0.749 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.11 -40.91 91.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.83 -1.169 . . . . 0.0 109.021 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -61.55 -40.01 93.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.52 -0.737 . . . . 0.0 110.214 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.1 2.08 56.9 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.277 -0.889 . . . . 0.0 110.386 -178.685 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.04 -39.68 20.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.86 -39.43 85.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.407 -0.808 . . . . 0.0 109.069 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.42 -39.76 88.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -85.04 -16.52 40.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.295 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 59.74 -137.28 0.73 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 t -86.7 -1.85 58.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.855 . . . . 0.0 110.285 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.44 79.24 8.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.945 -1.097 . . . . 0.0 109.588 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.96 -25.77 63.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.0 109.809 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.18 78.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.17 -0.956 . . . . 0.0 109.759 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.41 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.0 81.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.094 -1.004 . . . . 0.0 109.583 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.8 m -64.86 -39.95 94.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 0.0 110.76 -179.413 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -70.02 -40.02 75.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.079 -1.013 . . . . 0.0 110.707 -178.87 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -92.81 -2.26 56.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.155 -0.966 . . . . 0.0 108.978 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 52.09 46.64 26.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.402 -0.811 . . . . 0.0 110.03 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.36 151.41 44.35 Favored Pre-proline 0 N--CA 1.501 2.117 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.8 Cg_endo -72.72 150.42 50.29 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.891 1.727 . . . . 0.0 111.538 179.329 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -40.65 -23.72 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.428 2.085 . . . . 0.0 113.122 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.98 -50.57 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.949 -1.094 . . . . 0.0 110.327 -178.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -76.97 -38.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.12 -0.988 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.61 68.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 109.089 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.63 -40.02 90.43 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.37 -40.0 92.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 110.455 -179.025 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.01 -40.66 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.15 -39.56 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.474 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.89 64.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.773 -0.579 . . . . 0.0 110.705 -179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -92.52 -34.41 14.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.866 -1.146 . . . . 0.0 109.647 -179.327 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.5 t -60.01 130.63 47.68 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.067 -1.021 . . . . 0.0 108.554 179.022 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -76.69 -34.89 58.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 0.0 110.911 -179.035 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.28 -40.05 74.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 110.868 -178.49 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -85.32 -1.04 56.54 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 67.0 tp60 -69.5 -57.99 4.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.026 -1.046 . . . . 0.0 109.482 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.462 179.867 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.59 137.08 37.75 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.856 0.836 . . . . 0.0 111.079 -178.594 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.84 -39.24 88.33 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.17 -11.87 0.15 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' B' ' 3' ' ' ASP . 41.5 mt -59.75 -32.67 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 121.407 -1.055 . . . . 0.0 108.352 178.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -40.03 88.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.061 179.308 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.71 -39.34 88.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 108.625 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.48 80.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -59.93 -40.71 89.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.857 -1.152 . . . . 0.0 108.93 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.66 -40.06 93.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.447 -0.783 . . . . 0.0 110.145 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.13 2.22 56.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.296 -0.877 . . . . 0.0 110.415 -178.728 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.24 -39.51 21.57 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.001 -1.062 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.03 -39.39 85.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.367 -0.833 . . . . 0.0 109.073 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.34 -39.85 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.839 . . . . 0.0 109.681 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.0 -16.54 40.46 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.007 -1.058 . . . . 0.0 109.95 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 59.85 -137.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.738 179.781 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 24.8 t -86.36 -1.94 57.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 0.0 110.3 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.51 79.24 8.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.702 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.9 -25.6 63.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.898 . . . . 0.0 109.825 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.48 -40.49 91.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.051 -179.401 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.29 78.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -63.29 -40.08 96.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.978 . . . . 0.0 109.74 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.01 81.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.134 -0.979 . . . . 0.0 109.582 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.4 m -64.8 -39.98 94.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.191 -0.943 . . . . 0.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.67 -178.888 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -92.8 -2.42 55.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.131 -0.981 . . . . 0.0 109.015 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 52.12 46.6 26.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.404 -0.81 . . . . 0.0 109.978 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.18 151.41 44.23 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.33 -0.856 . . . . 0.0 109.463 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.6 Cg_endo -72.72 150.28 50.02 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.99 1.794 . . . . 0.0 111.493 179.326 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -40.66 -23.47 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.367 2.045 . . . . 0.0 113.025 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.06 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.958 -1.089 . . . . 0.0 110.552 -178.74 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.85 -38.21 28.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 109.652 -179.61 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.27 70.41 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.182 -0.949 . . . . 0.0 109.038 -179.448 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.86 -40.01 91.31 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 110.065 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.34 -39.99 92.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 110.347 -179.115 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.99 -40.64 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 107.901 -179.634 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.14 -39.9 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.392 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.44 -25.02 64.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.672 -0.643 . . . . 0.0 110.681 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -92.65 -34.37 14.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.769 -1.207 . . . . 0.0 109.644 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.143 -0.973 . . . . 0.0 108.54 178.914 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -76.67 -35.21 58.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.147 -0.971 . . . . 0.0 110.931 -179.026 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.09 -40.02 75.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.069 -1.019 . . . . 0.0 110.778 -178.442 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -85.22 -1.12 56.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.911 -1.118 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.534 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 11.1 tp-100 -69.48 -57.82 4.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.059 -1.026 . . . . 0.0 109.531 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.26 -0.9 . . . . 0.0 109.512 179.898 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.07 138.55 36.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.723 0.773 . . . . 0.0 111.495 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.7 t0 -59.96 -39.99 87.52 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.37 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.6 -10.77 0.25 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 38.1 mt -60.02 -32.49 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.395 -1.062 . . . . 0.0 108.446 179.052 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.08 -39.16 85.13 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.27 -38.06 87.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.417 -0.802 . . . . 0.0 109.096 179.548 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.69 71.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.104 -0.997 . . . . 0.0 109.546 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.44 -0.03 57.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.091 -1.005 . . . . 0.0 110.744 -178.625 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.91 -46.03 42.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.797 -1.189 . . . . 0.0 108.963 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -40.02 87.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.454 -0.779 . . . . 0.0 109.45 179.273 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.297 -0.877 . . . . 0.0 109.756 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.21 -11.19 56.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.934 -1.104 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 58.99 -135.99 0.86 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.538 -0.726 . . . . 0.0 110.46 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -83.94 -4.53 58.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.564 -0.71 . . . . 0.0 110.561 -178.895 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.64 76.13 7.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.861 -1.149 . . . . 0.0 109.86 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.58 -24.71 62.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.952 . . . . 0.0 109.892 179.64 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.13 -40.08 92.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.993 . . . . 0.0 109.822 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.68 89.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.22 -42.25 99.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 0.0 109.359 179.46 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.05 79.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.067 -1.021 . . . . 0.0 109.818 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.4 t -65.49 -38.5 89.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.088 -179.604 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.56 -39.9 77.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.244 -0.91 . . . . 0.0 110.254 -179.348 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.64 0.23 56.41 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.096 -1.002 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.11 46.15 27.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.283 -0.886 . . . . 0.0 110.308 179.007 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.5 mt -115.52 152.71 47.41 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.469 -0.769 . . . . 0.0 109.356 -179.883 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 74.3 Cg_endo -74.01 149.99 42.63 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.052 1.835 . . . . 0.0 111.39 179.346 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -39.87 -23.77 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.414 2.076 . . . . 0.0 113.384 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.2 t -60.0 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.849 -1.157 . . . . 0.0 110.454 -178.664 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.92 -40.0 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.147 -0.97 . . . . 0.0 110.176 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.109 -0.995 . . . . 0.0 109.489 -179.25 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -60.02 -40.0 87.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.227 -0.92 . . . . 0.0 110.022 179.385 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.17 -39.94 92.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 0.0 110.441 -179.085 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.7 -41.63 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.877 -1.139 . . . . 0.0 108.494 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.01 -39.97 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.55 -26.01 65.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.721 -0.612 . . . . 0.0 110.405 -179.618 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -91.6 -33.99 14.89 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.645 -179.318 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.55 126.1 26.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 108.543 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.28 -34.05 61.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.45 -39.96 74.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.677 -178.722 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.4 1.12 49.97 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.837 -1.164 . . . . 0.0 109.565 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -77.07 -71.15 0.42 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.179 -0.95 . . . . 0.0 109.157 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.131 179.775 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.03 138.61 36.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.43 -0.794 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.9 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.293 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 -10.78 0.25 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 37.6 mt -60.0 -32.54 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.286 -1.126 . . . . 0.0 108.381 179.085 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.04 -39.12 84.81 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.165 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.31 -38.12 88.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.426 -0.796 . . . . 0.0 109.092 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -34.71 71.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.218 -0.926 . . . . 0.0 109.494 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.26 -40.06 88.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -40.03 88.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.353 -0.842 . . . . 0.0 110.546 -179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.48 0.03 57.39 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.037 -1.039 . . . . 0.0 110.725 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -48.9 -46.09 42.29 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.864 -1.147 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.372 179.315 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.51 -39.98 89.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.162 -0.961 . . . . 0.0 109.792 -179.544 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.28 -11.13 56.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 109.227 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 58.87 -136.16 0.87 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.527 -0.733 . . . . 0.0 110.44 179.156 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.9 m -83.77 -4.51 58.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.509 -0.745 . . . . 0.0 110.65 -178.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.75 76.19 7.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.798 -179.237 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.52 -24.82 62.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.865 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.16 -39.92 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.79 88.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.201 -0.937 . . . . 0.0 109.364 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.16 -42.23 99.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 179.505 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.04 79.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 109.812 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -65.51 -38.53 89.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.045 -179.62 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.43 -40.12 77.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 0.0 110.256 -179.329 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -93.54 0.21 56.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.128 -0.983 . . . . 0.0 109.552 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 52.02 46.27 26.89 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.0 110.268 179.073 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.48 152.69 47.34 Favored Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.406 -0.808 . . . . 0.0 109.457 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' B' ' 31' ' ' VAL . 74.5 Cg_endo -73.89 150.01 43.27 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.116 1.877 . . . . 0.0 111.47 179.34 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.02 -23.41 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.325 2.016 . . . . 0.0 113.257 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.03 -52.75 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.86 -1.15 . . . . 0.0 110.546 -178.491 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.75 -39.97 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.172 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.9 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.485 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.99 -40.01 87.72 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.184 -0.948 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.17 -40.11 92.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.191 -0.943 . . . . 0.0 110.364 -179.035 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.52 -41.71 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.866 -1.146 . . . . 0.0 108.569 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.13 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 177.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -59.43 -26.14 64.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.755 -0.591 . . . . 0.0 110.407 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.5 m -91.74 -33.71 14.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.982 -1.074 . . . . 0.0 109.723 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.65 126.01 25.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.066 -1.021 . . . . 0.0 108.567 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -75.12 -34.08 61.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 110.183 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.37 -40.08 74.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.7 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.8 m -85.41 1.18 49.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.011 -1.056 . . . . 0.0 109.671 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.08 -71.14 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -1.0 . . . . 0.0 109.035 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 0.0 109.199 179.803 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.743 0.782 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -94.45 145.8 24.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.559 -0.713 . . . . 0.0 110.288 -179.572 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.01 -39.91 87.43 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.876 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.56 -17.96 0.31 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.265 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' ASP . 78.7 mt -60.09 -40.81 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.473 -1.016 . . . . 0.0 108.775 179.035 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.22 -40.06 92.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -66.31 -37.77 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.86 71.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.391 -0.818 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -42.03 93.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 108.931 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.61 -39.99 95.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.568 -0.708 . . . . 0.0 109.933 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.82 8.5 40.92 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.339 -0.851 . . . . 0.0 110.01 -178.7 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.39 -47.03 56.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.186 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -37.21 81.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 109.766 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -60.47 -36.98 79.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.21 -15.59 49.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.827 -1.171 . . . . 0.0 109.697 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 57.64 -136.95 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.405 -0.809 . . . . 0.0 109.755 179.724 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -83.01 -5.99 59.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.98 -179.709 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -81.08 72.75 8.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.066 -1.021 . . . . 0.0 109.673 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -23.97 63.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.0 -40.32 88.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.215 -0.928 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.23 89.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.101 -0.999 . . . . 0.0 109.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 ttp -62.94 -42.27 99.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.917 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.39 -40.04 85.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 t -67.03 -38.34 85.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.264 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.95 -40.13 79.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.164 -0.96 . . . . 0.0 109.933 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.82 -0.75 47.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.25 -0.906 . . . . 0.0 109.071 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 m120 51.97 49.3 21.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 0.0 109.973 179.53 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.32 125.68 27.99 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.558 -0.714 . . . . 0.0 109.9 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 88.5 Cg_exo -46.91 149.11 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.505 1.47 . . . . 0.0 111.622 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.41 -20.72 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.422 2.081 . . . . 0.0 113.395 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.0 -52.55 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.753 -1.217 . . . . 0.0 111.188 -178.01 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -72.31 -39.95 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.035 -1.04 . . . . 0.0 110.675 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.92 83.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.975 -1.078 . . . . 0.0 108.923 -178.944 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.03 -40.02 87.91 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 109.774 178.692 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.32 -40.49 97.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 110.339 -179.092 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -41.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.19 -40.03 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 177.946 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.562 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.63 -18.3 58.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.667 -0.646 . . . . 0.0 109.962 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -93.4 -37.46 11.97 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.857 -1.152 . . . . 0.0 109.223 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.6 t -60.09 130.72 48.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 108.807 179.173 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.97 -26.16 48.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 109.968 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -42.99 62.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.983 . . . . 0.0 110.173 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.5 -3.52 58.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.995 -1.066 . . . . 0.0 110.272 -179.549 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.8 tp-100 -70.03 -59.96 2.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.04 -1.037 . . . . 0.0 109.81 -179.543 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.202 -0.936 . . . . 0.0 109.072 179.876 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.631 0.729 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.34 145.8 24.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.626 -0.671 . . . . 0.0 110.332 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 178.909 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.37 -18.14 0.3 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' B' ' 3' ' ' ASP . 78.2 mt -60.06 -40.83 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.389 -1.065 . . . . 0.0 108.742 179.123 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.24 -39.96 92.25 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.499 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.44 -37.62 85.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.42 -0.8 . . . . 0.0 108.968 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.76 71.59 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 0.0 109.396 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.99 -42.09 93.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.52 -40.0 95.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.558 -0.714 . . . . 0.0 109.929 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.81 8.53 40.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.394 -0.816 . . . . 0.0 109.962 -178.671 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -50.32 -47.03 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 179.59 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.93 -37.25 81.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.543 -0.723 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -60.36 -37.09 79.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 -179.051 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.94 -15.67 50.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.944 -1.098 . . . . 0.0 109.776 -179.258 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 57.62 -137.24 0.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.391 -0.818 . . . . 0.0 109.716 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -82.74 -6.04 59.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 110.04 -179.69 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.07 72.75 8.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.975 -1.078 . . . . 0.0 109.559 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -70.0 -23.95 63.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.148 -0.97 . . . . 0.0 109.352 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.13 -40.25 89.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.11 89.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 49.1 ttp -63.03 -42.19 99.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.96 179.908 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.46 -40.06 85.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.553 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -66.97 -38.38 85.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.443 -0.785 . . . . 0.0 110.306 -179.481 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.04 -40.06 78.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.967 . . . . 0.0 109.917 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.85 -0.77 47.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 109.0 179.399 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.8 m-20 52.06 49.21 21.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.946 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -117.23 125.65 28.03 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' B' ' 31' ' ' VAL . 89.1 Cg_exo -46.88 149.23 3.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.485 1.457 . . . . 0.0 111.61 178.937 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.61 -20.64 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.337 2.024 . . . . 0.0 113.336 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.5 t -60.04 -52.6 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.757 -1.215 . . . . 0.0 111.178 -178.008 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.98 -40.08 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.799 -1.188 . . . . 0.0 110.79 -178.665 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.07 83.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 108.962 -178.898 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.95 -40.05 87.67 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.727 178.721 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.36 -40.04 96.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.26 -179.144 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.72 -41.24 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.815 -1.178 . . . . 0.0 107.831 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.47 -40.0 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.995 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.53 -19.14 61.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.731 -0.606 . . . . 0.0 109.961 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -92.47 -37.21 12.66 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.05 -1.032 . . . . 0.0 109.353 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.18 130.88 48.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 108.865 179.129 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.14 -26.23 47.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -0.998 . . . . 0.0 109.863 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -43.03 62.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.978 . . . . 0.0 110.231 -179.225 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -84.44 -3.45 58.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.014 -1.053 . . . . 0.0 110.217 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tp-100 -70.06 -60.03 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.028 -1.045 . . . . 0.0 109.866 -179.517 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.288 -0.883 . . . . 0.0 109.119 179.922 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.0 mt -101.25 140.07 36.06 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.622 0.725 . . . . 0.0 111.263 -178.701 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -60.07 -39.67 86.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.419 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.99 -12.36 0.15 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.349 -1.501 . . . . 0.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.0 mt -59.94 -33.2 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.384 -1.068 . . . . 0.0 108.322 178.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.97 -38.94 83.98 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.654 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.17 -39.42 92.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.459 -0.775 . . . . 0.0 109.361 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.43 70.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 109.759 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.19 -40.8 91.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.956 -1.09 . . . . 0.0 109.305 179.66 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.99 -39.94 91.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.428 -0.795 . . . . 0.0 109.904 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -91.18 0.54 57.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.323 -0.861 . . . . 0.0 110.602 -178.878 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.71 -44.97 38.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.599 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.45 -36.24 77.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.253 -0.905 . . . . 0.0 110.066 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.3 -37.31 87.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 0.0 109.923 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.65 -11.93 46.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.936 -1.103 . . . . 0.0 109.227 179.885 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 m80 57.97 -138.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.605 -0.684 . . . . 0.0 110.167 179.287 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.44 -0.84 51.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.046 -179.342 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.61 76.69 7.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.005 . . . . 0.0 109.572 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -26.93 64.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.929 . . . . 0.0 109.954 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -40.05 88.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 110.073 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.1 86.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.7 ttp -63.19 -40.37 97.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.308 -0.87 . . . . 0.0 109.611 179.812 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.06 -40.02 83.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.047 -1.033 . . . . 0.0 109.626 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -68.71 -34.4 75.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.199 -0.938 . . . . 0.0 109.894 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -69.66 -43.42 72.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.178 -0.951 . . . . 0.0 109.593 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.78 -0.26 54.34 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.454 -0.779 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.5 m120 51.39 48.56 22.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.0 109.871 179.726 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 mt -115.81 150.77 45.46 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.677 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.47 153.32 49.87 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.06 1.84 . . . . 0.0 112.048 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -41.01 -26.9 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.663 2.242 . . . . 0.0 113.437 179.662 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -49.95 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.872 -1.143 . . . . 0.0 110.515 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.37 -40.89 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 110.001 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.99 71.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.138 -0.976 . . . . 0.0 109.575 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.08 -39.88 87.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 179.169 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.68 -40.43 92.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 -179.451 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.73 -41.39 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.027 -1.046 . . . . 0.0 108.435 -179.873 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.6 -40.1 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.308 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -20.82 56.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -47.24 8.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.925 -1.109 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.67 130.05 44.94 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.21 -28.54 42.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 110.399 -179.009 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.89 -45.32 51.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.093 -1.005 . . . . 0.0 110.818 -178.85 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 -27.46 54.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.924 -1.11 . . . . 0.0 109.954 -179.436 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -78.98 -69.57 0.56 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.965 . . . . 0.0 108.896 179.739 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.376 -0.828 . . . . 0.0 109.202 179.832 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 mt -101.19 139.96 36.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.537 -0.727 . . . . 0.0 111.367 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.9 m-20 -59.98 -39.75 86.76 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.2 -12.24 0.16 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 38.6 mt -59.93 -33.23 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.327 -1.102 . . . . 0.0 108.291 178.908 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.9 -39.01 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 11' ' ' GLU . 64.6 tttm -62.04 -39.44 92.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.525 -0.735 . . . . 0.0 109.413 179.707 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -34.54 71.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.0 109.742 -179.604 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.12 -40.62 90.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.01 -40.03 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.473 -0.767 . . . . 0.0 109.897 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 7' ' ' LYS . 97.7 mt-10 -91.29 0.68 57.48 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.303 -0.873 . . . . 0.0 110.476 -178.794 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.9 -44.76 40.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.644 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.49 -36.43 78.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.943 . . . . 0.0 109.942 179.639 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.32 -37.18 86.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.138 -0.976 . . . . 0.0 109.964 -179.025 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -87.73 -12.13 46.14 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.942 -1.099 . . . . 0.0 109.115 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 58.18 -138.59 0.84 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.633 . . . . 0.0 110.037 179.226 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.39 -0.87 51.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 110.046 -179.242 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.55 76.71 7.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.624 -179.593 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.08 -26.98 64.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.863 179.774 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.131 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.21 86.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.089 -1.007 . . . . 0.0 109.405 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 51.6 ttp -63.09 -40.34 97.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.636 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.06 -40.06 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.113 . . . . 0.0 109.597 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t -68.73 -34.32 75.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.285 -0.884 . . . . 0.0 109.926 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.64 -43.55 72.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.636 -179.249 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.86 -0.25 54.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.525 -0.735 . . . . 0.0 109.348 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 85.4 m-20 51.46 48.53 22.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.213 -0.93 . . . . 0.0 109.872 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -115.81 150.82 45.55 Favored Pre-proline 0 N--CA 1.5 2.048 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.5 153.25 49.68 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.088 1.859 . . . . 0.0 111.966 179.84 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.98 -26.81 0.28 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.634 2.223 . . . . 0.0 113.386 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -49.91 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 110.648 -178.353 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.47 -40.74 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 110.024 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.83 72.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.97 . . . . 0.0 109.561 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.04 -39.97 87.78 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.65 179.143 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.73 -40.43 92.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.062 -179.435 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.78 -41.54 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.975 -1.078 . . . . 0.0 108.448 -179.917 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.47 -39.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.268 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -20.79 56.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.508 -0.745 . . . . 0.0 109.897 -179.899 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.37 -47.14 9.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.08 -1.012 . . . . 0.0 108.995 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.84 129.82 43.73 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.88 -28.83 44.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.031 -1.043 . . . . 0.0 110.364 -179.077 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.94 -45.05 52.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.027 -1.046 . . . . 0.0 110.892 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.7 m -77.15 -27.22 53.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.93 -1.106 . . . . 0.0 109.95 -179.491 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -79.25 -69.56 0.57 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.19 -0.944 . . . . 0.0 108.863 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.836 . . . . 0.0 109.206 179.895 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 90.5 mt -103.99 147.49 27.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.485 0.659 . . . . 0.0 110.098 -179.819 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 94.1 m-20 -59.96 -39.99 87.49 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.638 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.83 -18.94 0.14 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.4 mt -60.1 -41.44 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.601 -0.941 . . . . 0.0 109.307 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.078 -1.014 . . . . 0.0 108.534 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.51 -38.96 92.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.509 -0.744 . . . . 0.0 109.168 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.46 77.57 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.184 -0.948 . . . . 0.0 109.187 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -44.6 94.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.165 -0.959 . . . . 0.0 109.576 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 110.322 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.91 9.55 38.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 109.94 -179.036 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -47.01 -40.6 14.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.146 -0.971 . . . . 0.0 109.719 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.6 mt-10 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 0.0 110.09 179.799 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.1 -39.83 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.973 . . . . 0.0 110.184 -178.866 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -84.65 -23.6 29.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 109.572 -179.655 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 97.9 m-70 56.92 -127.19 1.87 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.404 -0.81 . . . . 0.0 109.878 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -88.6 -0.53 57.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.217 -0.927 . . . . 0.0 110.186 -179.37 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.05 73.52 6.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 109.639 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -69.95 -25.77 63.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.32 -40.82 91.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.096 -1.002 . . . . 0.0 110.317 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.9 88.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 108.811 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 36' ' ' ILE . 36.5 ttm -59.99 -47.57 85.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.716 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -58.79 -39.99 82.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.138 -0.976 . . . . 0.0 109.263 -179.715 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.0 m -64.27 -39.83 94.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.492 -0.755 . . . . 0.0 110.173 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.75 69.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.305 -178.588 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.67 -0.01 56.26 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.283 -0.885 . . . . 0.0 109.679 -179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.61 48.09 22.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.31 -0.869 . . . . 0.0 110.642 178.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.3 mt -120.83 152.42 56.07 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.461 -0.775 . . . . 0.0 108.932 179.626 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.04 157.93 58.25 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.8 1.667 . . . . 0.0 111.75 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -44.19 -21.18 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.513 2.142 . . . . 0.0 112.663 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -49.99 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.57 -42.57 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.904 -1.123 . . . . 0.0 111.021 -178.79 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.14 74.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.81 -1.181 . . . . 0.0 109.411 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.11 -39.97 88.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.205 -0.934 . . . . 0.0 110.018 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.39 -39.9 94.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 110.194 -179.127 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 22' ' ' MET . 81.3 mt -60.52 -40.49 84.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.735 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.01 -39.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.319 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.21 19.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.59 -0.694 . . . . 0.0 109.652 -179.855 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -88.22 -46.27 9.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.027 . . . . 0.0 109.123 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.07 128.19 35.57 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 108.74 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.52 -23.22 46.39 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.083 -1.011 . . . . 0.0 109.812 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.07 -49.28 14.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.276 -0.89 . . . . 0.0 111.029 -179.569 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -77.48 -24.93 50.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 111.213 -178.333 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.65 -41.77 75.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.804 -1.185 . . . . 0.0 110.347 -178.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 0.0 109.357 -179.77 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.408 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 90.9 mt -104.11 147.56 27.28 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.546 0.688 . . . . 0.0 109.978 -179.682 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.0 m-20 -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.77 -19.08 0.14 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 3' ' ' ASP . 76.5 mt -60.0 -41.52 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.401 -1.058 . . . . 0.0 109.361 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -60.01 -39.91 87.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -0.996 . . . . 0.0 108.571 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.61 -38.99 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.555 -0.715 . . . . 0.0 109.228 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.5 77.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.863 . . . . 0.0 109.221 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.95 -44.7 94.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.02 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.77 -39.98 90.8 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.813 . . . . 0.0 110.375 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.82 9.52 38.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.136 -0.978 . . . . 0.0 109.959 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t -47.03 -40.49 14.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.809 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.5 mt-10 -60.11 -39.82 87.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.895 . . . . 0.0 110.031 179.888 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.17 -39.94 88.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 110.138 -178.859 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.66 -23.49 29.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.928 -1.108 . . . . 0.0 109.585 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 97.9 m-70 56.86 -127.47 1.87 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.48 -0.763 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -88.28 -0.58 57.29 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.206 -0.934 . . . . 0.0 110.255 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.02 73.53 6.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.989 -1.069 . . . . 0.0 109.658 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -70.09 -25.59 63.59 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.22 -0.925 . . . . 0.0 109.602 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.63 -40.68 92.83 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.106 -0.997 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 88.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.879 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.428 ' SD ' HD12 ' B' ' 36' ' ' ILE . 36.8 ttm -59.98 -47.71 84.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 0.0 109.683 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -58.77 -39.98 82.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.179 -179.7 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 64.8 m -64.14 -39.86 94.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.79 69.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.184 -0.947 . . . . 0.0 110.314 -178.627 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.64 0.01 56.32 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.207 -0.933 . . . . 0.0 109.637 -179.715 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.9 m-20 53.51 48.1 22.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.338 -0.851 . . . . 0.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 30.9 mt -120.85 152.36 56.04 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.94 158.0 58.18 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.881 1.721 . . . . 0.0 111.687 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -44.27 -21.26 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.387 2.058 . . . . 0.0 112.728 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -49.99 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -75.27 -42.52 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.7 -1.25 . . . . 0.0 111.075 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.23 74.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.729 -1.232 . . . . 0.0 109.413 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.213 -0.929 . . . . 0.0 110.015 179.182 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.29 -40.18 95.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.168 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.428 HD12 ' SD ' ' B' ' 22' ' ' MET . 81.0 mt -60.42 -40.01 82.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.39 -39.93 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.417 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.46 -20.37 19.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 109.679 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.9 m -87.99 -46.48 9.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.132 -0.98 . . . . 0.0 109.12 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.0 128.17 35.51 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.256 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.43 -23.32 46.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.636 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.14 -49.21 14.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.182 -0.949 . . . . 0.0 111.085 -179.572 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.6 m -77.23 -25.15 51.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.168 -0.958 . . . . 0.0 111.253 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -69.4 -42.06 75.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.827 -1.171 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.099 -1.0 . . . . 0.0 109.389 -179.568 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.99 139.86 33.2 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.705 0.764 . . . . 0.0 110.725 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.8 m-20 -59.99 -39.28 85.19 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -14.92 0.08 OUTLIER Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' ASP . 36.1 mt -58.47 -35.0 52.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.33 -0.856 . . . . 0.0 109.057 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 108.969 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.97 74.86 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 0.0 109.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.1 -39.95 87.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.196 -0.94 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.398 -0.814 . . . . 0.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -93.34 3.86 54.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.178 -0.951 . . . . 0.0 110.449 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -48.95 -41.99 35.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.937 -1.102 . . . . 0.0 109.189 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.3 tt0 -60.06 -39.98 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.208 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.11 -39.98 92.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.775 . . . . 0.0 109.65 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -87.32 -14.49 40.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.002 . . . . 0.0 109.487 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 67.5 m-70 58.08 -134.68 1.05 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 0.0 110.56 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -86.11 -0.14 54.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 110.172 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.77 75.57 6.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.014 -1.054 . . . . 0.0 109.321 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.98 -27.2 64.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.306 -0.871 . . . . 0.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.01 -40.99 91.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.975 . . . . 0.0 109.881 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.9 81.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.428 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.8 ttp -63.54 -40.49 97.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.195 -0.941 . . . . 0.0 109.762 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.55 -40.1 82.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.919 -1.113 . . . . 0.0 109.219 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.7 m -65.21 -40.0 93.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.443 -0.786 . . . . 0.0 110.146 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -68.58 -40.0 80.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.152 -0.968 . . . . 0.0 110.019 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.81 -1.7 45.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.744 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' ALA . 89.3 m-20 51.03 47.92 24.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.176 -0.952 . . . . 0.0 110.495 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -114.37 151.42 45.09 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.454 -0.779 . . . . 0.0 109.114 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.7 Cg_endo -70.09 149.33 64.61 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.881 1.721 . . . . 0.0 111.535 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.25 -22.89 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.133 1.888 . . . . 0.0 112.526 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -60.02 -53.17 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.001 . . . . 0.0 110.073 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.16 -40.01 57.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.216 -0.927 . . . . 0.0 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.8 68.1 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.1 -1.0 . . . . 0.0 109.358 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.04 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.045 -1.034 . . . . 0.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 16.1 tm-20 -62.12 -40.0 94.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.804 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.02 -40.1 82.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.12 -40.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.14 -19.74 63.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.868 -0.52 . . . . 0.0 110.717 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.4 m -95.3 -35.12 11.92 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.942 -1.099 . . . . 0.0 109.734 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -59.99 133.6 56.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.927 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.07 -27.69 48.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 110.483 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.31 -43.1 34.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.952 -1.093 . . . . 0.0 110.868 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -85.55 1.13 50.3 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -0.984 . . . . 0.0 110.979 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -62.89 -49.98 72.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.908 -1.12 . . . . 0.0 109.576 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.16 137.32 32.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.19 -0.944 . . . . 0.0 109.425 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -78.76 131.36 36.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.108 -0.995 . . . . 0.0 109.306 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.86 -141.46 19.38 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -86.62 -102.95 0.07 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.052 -1.264 . . . . 0.0 109.162 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.29 -135.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.7 mtt -80.04 -9.73 59.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -85.05 115.16 22.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 109.681 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.48 -169.74 41.48 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 15.3 mp0 -81.64 116.41 21.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.088 -1.242 . . . . 0.0 109.207 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 7.5 p -143.76 130.0 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.41 -0.806 . . . . 0.0 109.497 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 83.0 m-20 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.365 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -97.95 139.93 33.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.41 -0.806 . . . . 0.0 110.665 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.0 m-20 -60.04 -39.31 85.47 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.57 -14.89 0.08 OUTLIER Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' B' ' 3' ' ' ASP . 36.3 mt -58.5 -35.0 52.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.96 -40.06 87.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.058 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.97 -39.94 95.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 108.974 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.13 74.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.0 88.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.817 . . . . 0.0 110.355 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -93.37 3.93 54.81 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.094 -1.004 . . . . 0.0 110.454 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.94 -42.14 36.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.87 -1.144 . . . . 0.0 109.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.447 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.423 -0.798 . . . . 0.0 109.252 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.462 -0.774 . . . . 0.0 109.713 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -87.13 -14.6 40.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.077 -1.015 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 67.2 m-70 58.12 -134.57 1.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.404 -0.81 . . . . 0.0 110.585 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -86.14 -0.22 55.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.17 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.76 75.73 6.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.04 . . . . 0.0 109.3 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.99 -27.32 64.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.831 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.91 81.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.194 -0.941 . . . . 0.0 109.436 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.47 -40.41 97.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.61 -40.12 82.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.005 -1.059 . . . . 0.0 109.155 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.1 m -65.17 -40.05 93.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.45 -0.781 . . . . 0.0 110.139 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.61 -39.94 80.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 110.018 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -96.87 -1.7 45.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.0 109.663 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 89.1 m-20 51.04 47.96 23.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.194 -0.942 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -114.42 151.4 45.12 Favored Pre-proline 0 N--CA 1.501 2.081 0 O-C-N 121.412 -0.805 . . . . 0.0 109.106 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.5 Cg_endo -70.1 149.38 64.61 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.874 1.716 . . . . 0.0 111.577 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -41.28 -22.88 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.114 1.876 . . . . 0.0 112.527 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 29' ' ' PRO . 79.6 t -60.08 -53.17 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.098 -1.002 . . . . 0.0 110.076 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.1 -39.93 57.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.262 -0.899 . . . . 0.0 109.889 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.83 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.176 -0.953 . . . . 0.0 109.404 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.12 -39.94 88.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.017 . . . . 0.0 109.591 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 16.1 tm-20 -62.17 -39.99 94.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.357 -0.839 . . . . 0.0 110.756 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.97 -40.06 81.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 107.961 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.08 -40.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 -19.64 63.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.869 -0.519 . . . . 0.0 110.728 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 62.6 m -95.2 -35.19 11.94 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.935 -1.103 . . . . 0.0 109.819 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.3 t -59.97 133.54 56.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.246 -0.908 . . . . 0.0 108.999 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.04 -27.78 48.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 110.477 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -77.21 -43.11 34.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 0.0 110.918 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.57 0.95 51.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.128 -0.982 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.8 -49.97 72.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 109.562 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.5 mt -90.12 137.32 32.44 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.449 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -78.74 131.49 36.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.103 -0.998 . . . . 0.0 109.286 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.8 -141.45 19.08 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -86.63 -102.79 0.07 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.077 -1.249 . . . . 0.0 109.267 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.33 -135.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.313 -0.867 . . . . 0.0 109.38 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtt -79.96 -9.9 59.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.368 -0.832 . . . . 0.0 109.444 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -84.73 115.38 22.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 109.774 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -169.74 41.6 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 15.7 mp0 -81.65 116.28 21.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.073 -1.251 . . . . 0.0 109.225 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.437 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 7.6 p -143.66 129.96 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.351 -0.843 . . . . 0.0 109.47 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 83.2 m-20 . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.414 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -101.17 137.89 38.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.774 . . . . 0.0 110.894 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 64.2 t0 -59.96 -38.34 82.19 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.01 -9.6 0.22 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 25.6 mt -58.36 -34.38 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -1.109 . . . . 0.0 108.433 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.12 -39.6 86.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.132 -0.98 . . . . 0.0 108.906 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.18 -37.4 80.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.448 -0.783 . . . . 0.0 109.525 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.17 72.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -59.99 -40.09 87.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.021 -1.05 . . . . 0.0 109.72 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.89 -39.95 91.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -95.05 2.37 55.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.131 -0.98 . . . . 0.0 110.525 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.25 -44.19 53.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.904 -1.122 . . . . 0.0 110.174 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.18 -0.95 . . . . 0.0 109.636 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.15 -35.09 77.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 109.762 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -86.88 -12.84 46.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.027 -1.046 . . . . 0.0 109.688 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 58.93 -139.48 0.75 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.18 0.44 51.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.27 -0.894 . . . . 0.0 110.21 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 82.66 6.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -71.52 -23.86 61.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 109.401 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.04 -40.13 88.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.962 . . . . 0.0 110.178 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.76 92.42 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.038 -1.039 . . . . 0.0 108.558 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.2 ttm -60.09 -46.15 90.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.8 . . . . 0.0 109.192 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.55 -39.99 85.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.486 -0.759 . . . . 0.0 109.793 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -67.6 -40.02 84.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 110.697 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -98.72 0.62 44.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.281 -0.887 . . . . 0.0 109.277 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ALA . 91.5 m-20 52.84 41.46 31.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.774 . . . . 0.0 110.316 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 44.8 mt -108.58 151.72 41.78 Favored Pre-proline 0 N--CA 1.501 2.095 0 O-C-N 121.282 -0.886 . . . . 0.0 109.414 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.2 152.76 56.45 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.86 1.706 . . . . 0.0 111.734 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -42.49 -23.33 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.236 1.957 . . . . 0.0 112.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.041 -1.037 . . . . 0.0 110.223 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.69 -43.15 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 110.767 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.41 77.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.93 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.34 -40.09 92.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.116 -0.99 . . . . 0.0 109.607 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.23 -39.98 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.062 -1.024 . . . . 0.0 108.452 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.69 -40.21 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -63.03 -16.25 59.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.628 -0.67 . . . . 0.0 109.883 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -95.05 -37.61 11.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.094 -1.004 . . . . 0.0 109.81 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.1 133.03 55.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.094 -1.004 . . . . 0.0 108.889 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.34 -28.64 47.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.161 -0.962 . . . . 0.0 109.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.6 64.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 110.457 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.37 2.19 51.1 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.993 -1.067 . . . . 0.0 110.483 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.04 -70.07 0.51 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 109.348 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.8 mt -82.08 149.52 28.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.445 -0.784 . . . . 0.0 109.899 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' GLY . 97.9 mttt -77.41 173.83 11.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.433 -0.792 . . . . 0.0 109.645 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . -40.99 -92.67 0.01 OUTLIER Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.89 -3.68 57.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.077 -1.249 . . . . 0.0 110.465 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 51' ' ' HIS . . . 47.78 -143.15 0.42 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.909 -1.12 . . . . 0.0 109.807 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.8 ttt 40.0 -88.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.681 -0.637 . . . . 0.0 111.26 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.4 m-70 -82.58 164.73 20.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.004 -1.06 . . . . 0.0 110.378 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.89 14.61 57.68 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -79.05 150.28 31.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -1.179 . . . . 0.0 109.402 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 54' ' ' VAL . 30.1 m -93.44 -7.22 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.32 -0.862 . . . . 0.0 109.871 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.575 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.18 137.92 38.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 5' ' ' ILE . 64.2 t0 -59.99 -38.38 82.43 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 -9.58 0.22 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' B' ' 3' ' ' ASP . 25.6 mt -58.29 -34.47 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.331 -1.099 . . . . 0.0 108.584 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -59.89 -39.69 86.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 0.0 108.86 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.28 -37.38 80.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.429 -0.794 . . . . 0.0 109.495 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.04 72.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.521 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.985 -1.072 . . . . 0.0 109.724 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.91 -40.07 91.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.283 -0.886 . . . . 0.0 110.443 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -94.94 2.41 55.38 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.094 -1.004 . . . . 0.0 110.682 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.4 -44.06 54.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 110.232 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -0.92 . . . . 0.0 109.644 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.17 -34.92 77.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.704 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -87.05 -12.86 46.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.971 -1.081 . . . . 0.0 109.703 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 58.96 -139.57 0.74 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.391 -0.818 . . . . 0.0 110.068 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.04 0.24 52.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.91 82.79 5.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.089 . . . . 0.0 109.817 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -71.51 -23.96 61.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.88 -40.15 87.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.042 -1.036 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.8 92.62 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 108.625 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.506 ' SD ' HD12 ' B' ' 36' ' ' ILE . 34.1 ttm -60.02 -46.0 90.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.47 -0.769 . . . . 0.0 109.345 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.78 -39.98 86.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.65 -39.93 84.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 110.726 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.0 -39.96 75.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -0.922 . . . . 0.0 110.335 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -98.78 0.55 44.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 0.0 109.229 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 91.6 m-20 52.96 41.36 32.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.768 . . . . 0.0 110.354 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 44.9 mt -108.54 151.55 41.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.12 152.79 56.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.792 1.661 . . . . 0.0 111.634 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.41 -23.37 0.29 Allowed 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.221 1.948 . . . . 0.0 112.734 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -50.0 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.043 -1.036 . . . . 0.0 110.305 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -42.91 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.948 -1.095 . . . . 0.0 110.795 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.187 -0.946 . . . . 0.0 109.983 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.21 -40.03 92.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.595 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.24 -40.18 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.017 -1.052 . . . . 0.0 108.458 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -62.95 -16.35 59.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.654 -0.654 . . . . 0.0 109.852 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -94.93 -37.79 11.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.994 -1.066 . . . . 0.0 109.827 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.96 133.12 55.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.133 -0.98 . . . . 0.0 108.81 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.48 -28.62 46.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.096 -1.002 . . . . 0.0 109.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.59 64.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 110.507 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.29 2.05 51.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.083 -1.011 . . . . 0.0 110.52 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.465 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.1 tp60 -77.99 -70.02 0.51 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.914 -1.116 . . . . 0.0 109.409 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.02 149.63 28.01 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.451 -0.78 . . . . 0.0 109.909 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 47' ' ' GLY . 97.9 mttt -77.49 173.82 11.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.402 -0.811 . . . . 0.0 109.498 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . -41.12 -92.63 0.01 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.404 -1.079 . . . . 0.0 110.404 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.78 -3.81 57.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.183 -1.186 . . . . 0.0 110.472 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 51' ' ' HIS . . . 47.84 -143.1 0.43 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.874 -1.141 . . . . 0.0 109.8 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.0 ttt 39.93 -89.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.655 -0.653 . . . . 0.0 111.252 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' B' ' 49' ' ' ALA . 91.6 m-70 -81.79 164.4 21.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.049 -1.032 . . . . 0.0 110.483 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.05 14.69 57.34 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -79.03 150.23 31.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.183 -1.186 . . . . 0.0 109.373 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 54' ' ' VAL . 31.0 m -93.36 -7.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 109.501 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.68 0.752 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.66 143.08 31.24 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.586 0.708 . . . . 0.0 110.644 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 67.0 t0 -60.0 -39.32 85.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.63 -13.31 0.16 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.5 mt -59.9 -39.77 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.285 -1.127 . . . . 0.0 108.222 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -39.96 87.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.79 -39.99 95.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.692 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.55 -41.98 95.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.102 -0.999 . . . . 0.0 110.448 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.74 -40.01 93.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.0 110.112 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -95.55 7.75 45.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.328 -0.858 . . . . 0.0 110.42 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -50.6 -44.92 57.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.893 -1.129 . . . . 0.0 109.383 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.98 -37.39 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.42 -39.43 87.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.0 110.191 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -84.35 -17.87 38.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.003 -1.061 . . . . 0.0 109.773 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m80 58.04 -126.58 1.58 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.427 -0.795 . . . . 0.0 110.714 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 t -86.79 -3.68 59.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.423 -0.798 . . . . 0.0 110.829 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.07 72.42 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.793 -1.192 . . . . 0.0 109.736 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -69.91 -25.31 63.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.088 -1.007 . . . . 0.0 108.471 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.17 -40.17 88.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.795 . . . . 0.0 109.662 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.89 92.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 109.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 36' ' ' ILE . 27.7 ttm -59.94 -47.03 87.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.869 . . . . 0.0 109.706 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -59.74 -41.51 91.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.99 -1.069 . . . . 0.0 109.451 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 m -64.78 -37.2 86.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 0.0 110.073 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 110.169 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -98.45 0.07 44.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.281 -0.887 . . . . 0.0 109.395 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.2 m-20 54.69 45.57 26.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.493 -0.754 . . . . 0.0 110.59 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.615 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.6 mt -118.36 150.01 47.02 Favored Pre-proline 0 N--CA 1.501 2.119 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.7 Cg_endo -70.53 157.43 58.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.982 1.788 . . . . 0.0 112.202 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -42.08 -21.47 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.59 2.193 . . . . 0.0 112.794 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.97 -50.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.94 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -75.33 -43.0 43.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 110.307 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.02 83.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.038 -1.039 . . . . 0.0 109.714 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.0 -40.05 87.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.244 -0.91 . . . . 0.0 109.11 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.21 -40.01 96.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.091 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.98 -40.35 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.968 -1.083 . . . . 0.0 108.301 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.45 -19.32 63.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.7 -0.625 . . . . 0.0 110.256 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -95.36 -34.07 12.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.088 -1.008 . . . . 0.0 110.247 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.95 136.41 58.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.955 -1.09 . . . . 0.0 109.044 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.88 -39.99 61.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.938 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.79 -39.99 72.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.043 -1.036 . . . . 0.0 111.656 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.27 0.43 41.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.739 -1.226 . . . . 0.0 110.438 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.54 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.3 tp-100 -78.9 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 109.547 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.95 140.48 31.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.69 130.98 35.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.145 -0.972 . . . . 0.0 108.938 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.83 -138.93 18.81 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.2 -77.93 0.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.466 -1.02 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.75 -50.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.937 . . . . 0.0 110.096 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttt -73.59 138.66 45.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.158 -0.964 . . . . 0.0 109.471 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -152.12 160.43 43.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.735 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.0 38.44 0.91 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.24 149.1 31.98 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.352 -1.087 . . . . 0.0 109.02 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 54' ' ' VAL . 13.6 p -104.19 130.41 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.498 -0.751 . . . . 0.0 109.33 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 84.1 m-20 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.389 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.57 143.01 31.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.493 0.663 . . . . 0.0 110.607 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' B' ' 5' ' ' ILE . 66.7 t0 -59.99 -39.19 84.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 -13.13 0.17 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.6 mt -59.93 -39.87 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.298 -1.119 . . . . 0.0 108.101 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.86 -39.93 95.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.55 -0.719 . . . . 0.0 109.656 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.8 71.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.08 -1.013 . . . . 0.0 109.667 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.48 -42.05 95.47 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.01 -1.057 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.63 -39.98 93.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -95.6 7.75 45.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.314 -0.866 . . . . 0.0 110.508 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -50.55 -44.91 56.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.85 -1.156 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.02 -37.35 79.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.58 -39.31 87.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.227 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -84.29 -17.95 37.95 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.97 -1.081 . . . . 0.0 109.785 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.96 -126.67 1.6 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.502 -0.749 . . . . 0.0 110.755 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -86.76 -3.61 59.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.06 72.65 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.817 -1.177 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -70.03 -25.44 63.57 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.151 -0.968 . . . . 0.0 108.441 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.07 88.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.833 . . . . 0.0 109.726 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.92 92.36 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.386 -0.822 . . . . 0.0 109.099 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.415 ' SD ' HD12 ' B' ' 36' ' ' ILE . 27.8 ttm -60.0 -47.05 87.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 0.0 109.564 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.56 -41.71 90.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.976 -1.077 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -64.77 -37.1 86.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.04 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.25 -40.1 78.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.164 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -98.6 0.13 44.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.258 -0.901 . . . . 0.0 109.401 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 80.9 m-20 54.72 45.59 26.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.565 -0.709 . . . . 0.0 110.501 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.619 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.5 mt -118.41 150.01 47.09 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.8 Cg_endo -70.6 157.33 59.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.073 1.849 . . . . 0.0 112.213 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.92 -21.77 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.672 2.248 . . . . 0.0 112.919 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.0 t -59.98 -49.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.192 -0.943 . . . . 0.0 110.949 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.28 -43.03 43.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.95 -1.094 . . . . 0.0 110.242 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.96 83.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 109.799 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -59.96 -40.04 87.68 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.134 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -63.4 -39.99 96.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 0.0 110.118 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.415 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.83 -40.47 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.013 -1.054 . . . . 0.0 108.353 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.57 -39.98 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -18.87 63.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.763 -0.585 . . . . 0.0 110.293 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -95.51 -34.15 12.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.938 -1.101 . . . . 0.0 110.256 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.73 136.63 58.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.946 -1.096 . . . . 0.0 108.97 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -75.23 -39.94 59.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 110.919 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.73 -39.97 73.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.111 -0.993 . . . . 0.0 111.764 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -82.25 0.55 40.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.776 -1.203 . . . . 0.0 110.248 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.54 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.9 tp60 -79.1 -69.94 0.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.107 -0.996 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -83.96 140.37 31.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.54 130.96 35.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.114 -0.991 . . . . 0.0 109.045 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.05 -138.99 19.95 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.28 -78.11 0.36 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -1.091 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.62 -50.03 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.86 . . . . 0.0 110.0 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.9 ttt -73.35 138.89 45.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 109.509 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -152.3 160.13 43.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.707 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.68 38.49 0.93 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -79.31 148.86 31.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.26 -1.141 . . . . 0.0 109.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 54' ' ' VAL . 13.4 p -103.92 130.38 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.504 -0.747 . . . . 0.0 109.332 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 84.2 m-20 . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.469 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.16 143.01 32.51 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.643 0.735 . . . . 0.0 111.294 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.9 m-20 -59.98 -38.32 82.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.37 -13.9 0.16 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.9 mt -60.04 -37.96 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -1.044 . . . . 0.0 108.663 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.01 -39.28 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.261 -0.9 . . . . 0.0 109.158 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.31 -36.83 78.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.059 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.44 77.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 110.079 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -60.0 -41.07 91.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.115 . . . . 0.0 109.553 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.41 -40.08 89.68 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.283 -0.886 . . . . 0.0 109.517 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -96.63 5.38 50.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 111.162 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.88 -41.09 32.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.622 -1.299 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.04 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.334 -0.854 . . . . 0.0 109.171 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.58 -37.67 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.85 . . . . 0.0 110.013 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.14 -20.02 30.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.916 -1.115 . . . . 0.0 109.527 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m80 58.22 -138.27 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.486 -0.759 . . . . 0.0 110.349 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -0.89 53.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.391 -0.818 . . . . 0.0 109.821 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.67 76.78 8.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 0.0 108.969 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.05 -26.32 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.217 -0.927 . . . . 0.0 109.639 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.45 -42.17 95.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.152 -0.968 . . . . 0.0 110.371 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.44 79.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.12 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.0 ttp -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.358 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.4 -39.69 80.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.973 -1.08 . . . . 0.0 109.529 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 t -66.91 -38.44 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.55 -39.92 77.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.061 -1.024 . . . . 0.0 109.961 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.6 -5.73 45.13 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.124 -0.985 . . . . 0.0 109.075 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.1 m-20 52.96 43.1 32.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.392 -0.817 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -109.28 127.7 26.75 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.28 -0.888 . . . . 0.0 109.573 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.3 Cg_exo -44.64 145.46 2.71 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.663 1.575 . . . . 0.0 112.113 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.94 -20.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.631 2.221 . . . . 0.0 113.534 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.5 t -59.92 -50.49 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.85 -1.156 . . . . 0.0 110.565 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.41 -42.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.02 -1.05 . . . . 0.0 110.441 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -51.15 70.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.15 -39.95 88.17 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -60.04 -43.55 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.828 . . . . 0.0 110.218 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.41 -47.92 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.966 -1.084 . . . . 0.0 108.594 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.24 -46.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.217 -0.927 . . . . 0.0 108.807 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -62.28 -20.15 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.586 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -95.61 -31.54 13.23 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.1 -1.0 . . . . 0.0 109.417 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.83 133.44 56.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.133 -0.979 . . . . 0.0 108.511 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.14 -29.76 54.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.751 -1.218 . . . . 0.0 110.659 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.01 -46.74 27.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 111.176 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.17 -22.66 38.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.959 -1.088 . . . . 0.0 111.531 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.5 tt0 -69.56 -58.18 4.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.771 -1.206 . . . . 0.0 110.016 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 47' ' ' GLY . 88.9 mt -80.83 153.53 27.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.06 -1.025 . . . . 0.0 108.537 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -75.9 20.2 0.19 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.094 -1.004 . . . . 0.0 109.962 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . 94.56 -92.73 1.57 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -82.89 129.61 35.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.161 -1.2 . . . . 0.0 109.469 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -78.87 -3.32 44.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.266 -0.896 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -69.97 144.6 52.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 110.459 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.534 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 33.9 p-80 -89.27 11.74 18.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.706 -0.621 . . . . 0.0 109.462 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.0 97.34 0.82 Allowed Glycine 0 N--CA 1.488 2.167 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 51' ' ' HIS . 4.1 mp0 -79.15 149.37 32.02 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -1.17 . . . . 0.0 108.999 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.38 -19.21 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.148 -0.97 . . . . 0.0 109.708 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.15 142.99 32.53 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.689 0.757 . . . . 0.0 111.275 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.56 -13.91 0.18 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' B' ' 3' ' ' ASP . 46.4 mt -59.95 -38.12 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.47 -1.018 . . . . 0.0 108.655 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.04 -39.25 85.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.37 -0.831 . . . . 0.0 109.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.16 -36.97 78.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 0.0 109.029 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.47 77.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.0 110.098 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.94 -41.04 90.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.823 -1.173 . . . . 0.0 109.519 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.51 -39.99 89.79 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.499 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -96.64 5.41 50.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 111.165 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.98 -41.05 32.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.303 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.03 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.212 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.45 -37.83 84.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 110.068 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.91 -20.22 31.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.048 . . . . 0.0 109.551 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.7 m80 58.24 -138.69 0.83 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.404 -0.81 . . . . 0.0 110.302 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -83.32 -1.01 52.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.501 -0.749 . . . . 0.0 109.915 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.66 76.88 8.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.049 -1.032 . . . . 0.0 109.013 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.09 -26.71 64.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.292 -0.88 . . . . 0.0 109.606 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.11 79.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.022 -1.049 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -60.98 -43.62 98.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.37 -39.84 80.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.0 -1.062 . . . . 0.0 109.575 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.3 t -66.8 -38.14 85.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 0.0 110.091 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.85 -39.94 76.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.065 . . . . 0.0 109.914 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.68 -5.76 44.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.107 -0.996 . . . . 0.0 109.081 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.0 m-20 53.02 43.09 32.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.356 -0.84 . . . . 0.0 110.601 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.32 127.67 26.8 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.304 -0.873 . . . . 0.0 109.587 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 98.6 Cg_exo -44.71 145.57 2.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.578 1.519 . . . . 0.0 112.102 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -39.04 -20.55 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.649 2.232 . . . . 0.0 113.607 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.8 t -59.98 -50.41 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.148 . . . . 0.0 110.624 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.51 -42.38 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.999 -1.063 . . . . 0.0 110.397 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.91 71.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.001 -1.062 . . . . 0.0 109.416 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -60.28 -40.06 89.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.482 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -60.02 -43.36 95.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.259 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.53 -47.87 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.897 -1.127 . . . . 0.0 108.603 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -46.34 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.237 -0.915 . . . . 0.0 108.841 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -62.14 -20.3 63.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.808 . . . . 0.0 109.483 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -95.33 -31.59 13.36 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.084 -1.01 . . . . 0.0 109.437 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -58.88 133.28 55.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.154 -0.966 . . . . 0.0 108.546 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.05 -29.48 55.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.772 -1.205 . . . . 0.0 110.688 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -76.17 -46.68 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.994 -1.066 . . . . 0.0 111.157 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.2 m -81.26 -22.4 38.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.925 -1.109 . . . . 0.0 111.57 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.81 -58.22 4.15 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.722 -1.236 . . . . 0.0 110.056 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' B' ' 47' ' ' GLY . 89.2 mt -80.74 153.77 27.62 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -76.0 19.87 0.21 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.975 -1.078 . . . . 0.0 109.978 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . 94.87 -92.89 1.56 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -82.72 129.87 35.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.267 . . . . 0.0 109.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -79.02 -3.54 45.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.143 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -69.82 145.1 52.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.128 -0.982 . . . . 0.0 110.432 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.527 ' O ' ' NE2' ' B' ' 53' ' ' GLN . 33.6 p-80 -89.39 11.01 20.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.609 -0.682 . . . . 0.0 109.533 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.33 97.56 0.77 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' B' ' 51' ' ' HIS . 4.1 mp0 -79.33 149.45 31.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.224 -1.163 . . . . 0.0 108.961 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.48 -19.22 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.049 -1.032 . . . . 0.0 109.647 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.082 -1.011 . . . . 0.0 109.355 179.792 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.62 142.72 27.12 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.607 0.718 . . . . 0.0 110.766 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.2 t0 -60.04 -40.0 87.88 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.94 -18.14 0.12 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.124 -1.591 . . . . 0.0 109.124 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.7 mt -59.96 -40.16 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.432 -1.04 . . . . 0.0 108.864 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -65.58 -39.28 91.45 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.69 77.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.549 -0.719 . . . . 0.0 110.004 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.1 -41.04 91.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.98 -1.075 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -39.98 92.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -0.836 . . . . 0.0 109.607 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.25 9.81 38.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.484 -0.76 . . . . 0.0 111.005 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -50.12 -41.36 48.49 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.789 -1.195 . . . . 0.0 108.91 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.02 -36.73 80.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 109.634 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.08 -40.03 88.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.4 -0.813 . . . . 0.0 110.331 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.13 -17.93 33.67 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.84 -1.163 . . . . 0.0 109.79 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.2 m80 56.71 -127.01 1.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.527 -0.733 . . . . 0.0 109.913 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.5 m -86.0 -8.78 57.72 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.04 74.94 6.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.835 -1.166 . . . . 0.0 109.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -69.97 -26.94 64.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.497 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.02 90.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.37 -0.832 . . . . 0.0 110.424 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.9 89.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.258 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.92 -42.44 99.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.408 -0.807 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.04 -40.06 76.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.213 -0.93 . . . . 0.0 109.196 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.56 -35.86 79.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.417 -0.802 . . . . 0.0 109.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.02 -43.08 72.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 109.597 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.29 -0.3 53.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.402 -0.811 . . . . 0.0 109.605 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.1 50.07 18.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.294 -0.879 . . . . 0.0 110.498 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.26 151.07 47.41 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.535 -0.728 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.56 151.06 52.35 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.175 1.917 . . . . 0.0 111.312 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -41.29 -24.17 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.279 1.986 . . . . 0.0 113.217 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.97 -57.03 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.006 -1.059 . . . . 0.0 110.484 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.04 -40.0 77.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 110.517 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.957 -1.089 . . . . 0.0 109.246 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 109.934 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.74 -40.81 93.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.534 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -41.2 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.885 -1.134 . . . . 0.0 108.366 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.63 -39.94 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.54 -23.82 59.2 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.658 -0.651 . . . . 0.0 110.323 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 m -95.14 -30.8 13.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.919 -1.113 . . . . 0.0 109.63 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.76 129.29 41.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -74.52 -39.27 62.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.04 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.1 -39.93 75.22 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.958 -1.089 . . . . 0.0 110.73 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.2 m -84.66 5.73 26.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.771 -1.206 . . . . 0.0 110.094 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -77.46 -69.98 0.5 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.054 -1.029 . . . . 0.0 109.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 mt -86.0 129.62 34.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -73.03 -22.34 60.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 108.519 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.56 -6.25 82.24 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -83.99 -5.48 59.23 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.433 -1.039 . . . . 0.0 108.357 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.24 138.49 49.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.596 -0.69 . . . . 0.0 109.664 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.6 mtt -155.5 105.59 2.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -88.96 -4.38 58.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.198 -0.939 . . . . 0.0 109.951 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.42 100.31 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -152.34 -76.65 0.13 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.241 -1.152 . . . . 0.0 109.088 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 m -97.13 137.88 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.235 -0.916 . . . . 0.0 109.226 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.41 179.721 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.74 142.76 27.09 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.644 0.735 . . . . 0.0 110.776 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.3 t0 -60.04 -39.9 87.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.85 -18.23 0.12 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.6 mt -60.12 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.496 -1.003 . . . . 0.0 108.944 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.55 -39.16 91.41 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.87 77.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.535 -0.728 . . . . 0.0 110.051 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.94 -41.19 91.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.135 -0.978 . . . . 0.0 109.31 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.26 -40.14 92.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.335 -0.853 . . . . 0.0 109.606 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.15 9.57 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.449 -0.782 . . . . 0.0 110.974 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -49.92 -41.3 45.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.806 -1.184 . . . . 0.0 108.959 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.11 -36.99 81.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.472 -0.767 . . . . 0.0 109.464 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.368 -0.832 . . . . 0.0 110.338 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -86.19 -17.9 33.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.755 -1.216 . . . . 0.0 109.66 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 56.73 -126.86 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.501 -0.749 . . . . 0.0 109.98 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 m -86.21 -8.74 57.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.636 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.13 75.08 6.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -70.05 -27.02 64.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.511 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.17 89.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.01 89.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.021 . . . . 0.0 109.317 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.83 -42.46 99.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 109.6 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.99 -40.09 75.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.946 . . . . 0.0 109.236 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -67.57 -36.05 80.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.46 -0.775 . . . . 0.0 109.718 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -69.88 -43.11 72.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.223 -0.923 . . . . 0.0 109.68 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.18 -0.36 53.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.323 -0.861 . . . . 0.0 109.671 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.4 m120 53.3 50.0 18.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.283 -0.886 . . . . 0.0 110.42 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.32 151.07 47.49 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.512 -0.742 . . . . 0.0 109.295 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -72.75 151.24 51.42 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.122 1.882 . . . . 0.0 111.268 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.35 -24.0 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.28 1.987 . . . . 0.0 113.255 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.15 -56.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.944 -1.097 . . . . 0.0 110.483 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -39.89 77.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.442 -0.786 . . . . 0.0 110.554 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.73 76.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.853 -1.154 . . . . 0.0 109.228 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.04 -39.92 87.58 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 109.921 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.82 -40.59 93.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.25 -41.34 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.93 -1.106 . . . . 0.0 108.274 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -67.42 -40.01 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.94 59.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.601 -0.687 . . . . 0.0 110.24 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.1 m -95.02 -30.72 13.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.998 -1.064 . . . . 0.0 109.739 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.2 t -59.84 129.28 41.09 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.083 -1.011 . . . . 0.0 108.571 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -74.3 -39.57 62.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.891 . . . . 0.0 111.048 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.02 -39.93 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.859 -1.151 . . . . 0.0 110.854 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -84.57 5.62 27.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.798 -1.189 . . . . 0.0 110.084 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -77.45 -69.94 0.5 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.064 . . . . 0.0 109.097 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -85.95 129.71 34.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.459 -0.775 . . . . 0.0 109.732 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.25 -22.18 60.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.026 -1.046 . . . . 0.0 108.42 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.63 -6.46 82.12 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -83.94 -5.64 59.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.434 -1.039 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 138.13 49.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.512 -0.743 . . . . 0.0 109.572 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.0 mtt -154.98 105.16 2.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.192 -0.943 . . . . 0.0 109.193 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -88.28 -4.66 58.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.942 . . . . 0.0 110.241 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.27 100.41 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -152.44 -76.58 0.13 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.179 -1.189 . . . . 0.0 109.04 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.412 HG22 ' H ' ' B' ' 54' ' ' VAL . 6.0 m -97.35 137.76 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.281 -0.887 . . . . 0.0 109.184 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.325 179.794 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.667 0.746 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -98.43 142.01 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.64 . . . . 0.0 110.612 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.03 -40.01 87.84 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.84 -16.61 0.22 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 80.5 mt -60.48 -40.41 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.345 -1.091 . . . . 0.0 108.647 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.95 -39.99 91.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.94 -39.72 94.81 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' CYS . . . -59.68 -31.97 70.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.523 -0.735 . . . . 0.0 109.746 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -59.98 -49.84 76.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.75 -38.5 85.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.453 -0.779 . . . . 0.0 109.648 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.01 -2.3 58.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.281 -0.887 . . . . 0.0 109.89 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' ALA . 46.4 t -50.83 -36.3 36.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.885 -1.134 . . . . 0.0 109.627 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.5 tt0 -60.13 -39.95 88.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 110.143 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.68 -39.99 90.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.514 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -85.75 -24.16 27.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.855 -1.153 . . . . 0.0 109.795 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 66.6 m80 56.51 -119.14 1.27 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.487 -0.758 . . . . 0.0 109.993 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.46 -8.61 56.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.841 . . . . 0.0 110.501 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -78.94 68.2 4.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.942 -1.099 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.01 -25.42 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 109.337 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.31 -41.31 93.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 0.0 109.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.88 77.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.213 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.1 ttp -62.16 -42.2 99.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.832 . . . . 0.0 109.718 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.08 83.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.078 -1.013 . . . . 0.0 108.718 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 m -67.14 -37.34 83.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.552 -0.717 . . . . 0.0 110.105 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.63 -40.02 76.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.011 -1.055 . . . . 0.0 110.151 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -95.24 0.6 54.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.152 -0.968 . . . . 0.0 109.03 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 51.91 49.87 19.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -115.36 154.82 47.58 Favored Pre-proline 0 N--CA 1.501 2.085 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_endo -76.09 149.26 32.18 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.498 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -39.06 -25.81 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.53 2.153 . . . . 0.0 113.4 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -59.91 -50.24 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.97 -1.081 . . . . 0.0 110.743 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.61 -39.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.008 -1.058 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.25 66.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.242 -0.911 . . . . 0.0 109.267 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 109.384 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.73 -40.16 91.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 110.396 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.92 -41.09 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.006 -1.059 . . . . 0.0 108.861 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.82 -38.71 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.03 -22.12 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.782 -0.573 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.6 m -91.44 -33.31 15.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.891 -1.131 . . . . 0.0 109.358 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.38 -26.29 46.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.149 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.52 -39.99 67.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.984 -1.072 . . . . 0.0 110.068 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.3 m -81.34 -6.94 59.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 109.855 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.5 tp-100 -78.86 -70.1 0.52 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 109.639 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -88.25 138.13 31.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.235 -0.915 . . . . 0.0 109.791 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.31 149.1 33.55 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.21 -39.25 89.75 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -83.49 146.61 28.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -1.185 . . . . 0.0 109.688 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.95 78.71 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.152 -0.968 . . . . 0.0 109.708 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 ttt -160.45 102.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -87.51 160.79 18.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.8 168.98 41.25 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -156.15 -18.45 0.1 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.4 t -90.1 -73.4 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.359 -0.838 . . . . 0.0 109.469 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.322 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.66 0.743 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.39 142.04 30.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.556 -0.715 . . . . 0.0 110.663 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.2 m-20 -60.12 -39.96 88.08 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -16.59 0.22 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 80.3 mt -60.31 -40.35 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.256 -1.144 . . . . 0.0 108.703 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.11 -39.96 91.95 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.83 -39.8 95.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 12' ' ' CYS . . . -59.65 -31.78 69.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.366 -0.834 . . . . 0.0 109.795 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.1 -49.76 76.39 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.84 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.73 -38.45 85.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 0.0 109.766 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -89.18 -2.44 58.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 109.806 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' B' ' 8' ' ' ALA . 47.0 t -50.7 -36.32 35.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.846 -1.159 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.6 -40.03 90.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -0.972 . . . . 0.0 110.398 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -85.89 -24.09 26.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.919 -1.113 . . . . 0.0 109.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 66.5 m80 56.5 -119.25 1.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.457 -0.777 . . . . 0.0 109.954 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.31 -8.65 56.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.333 -0.854 . . . . 0.0 110.532 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.91 68.1 4.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.986 -1.071 . . . . 0.0 109.849 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.0 -25.53 63.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.262 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -41.29 93.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 0.0 109.565 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.97 77.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 0.0 109.273 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.99 -42.18 98.86 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.65 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.01 83.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.995 -1.065 . . . . 0.0 108.742 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -67.25 -37.27 83.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.606 -0.684 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.67 -39.97 76.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.025 -1.047 . . . . 0.0 110.207 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -95.27 0.5 53.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -1.0 . . . . 0.0 108.929 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 51.92 49.94 19.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt -115.5 154.68 47.76 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.498 -0.751 . . . . 0.0 109.049 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.96 149.29 32.74 Favored 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.86 1.707 . . . . 0.0 111.453 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -38.99 -25.96 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.584 2.189 . . . . 0.0 113.386 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -50.17 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.896 -1.128 . . . . 0.0 110.79 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.51 -39.43 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.074 -1.016 . . . . 0.0 109.974 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.1 66.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.281 -0.887 . . . . 0.0 109.152 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.18 -40.03 88.54 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.352 -0.843 . . . . 0.0 109.322 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.64 -40.29 91.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.468 -0.77 . . . . 0.0 110.398 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.955 -1.09 . . . . 0.0 108.814 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.99 -38.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.04 -22.07 62.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.911 -0.493 . . . . 0.0 110.527 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.0 m -91.3 -33.09 15.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.914 -1.117 . . . . 0.0 109.365 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.96 131.61 51.4 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.31 -26.53 46.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.0 110.011 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.48 -40.12 67.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.029 -1.044 . . . . 0.0 109.909 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -81.26 -6.64 59.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.205 -0.935 . . . . 0.0 109.879 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tp-100 -79.12 -69.98 0.54 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.76 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 138.07 31.76 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.569 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.36 149.23 33.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.24 89.93 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -83.41 146.61 28.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -1.183 . . . . 0.0 109.696 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.02 78.79 0.2 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.199 -0.938 . . . . 0.0 109.735 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.7 ttt -160.63 101.09 1.32 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 160.72 18.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.174 -0.954 . . . . 0.0 110.032 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.74 169.01 41.31 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -156.16 -18.47 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -1.156 . . . . 0.0 108.901 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 t -90.05 -73.36 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.394 -0.816 . . . . 0.0 109.417 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.412 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.48 145.05 25.47 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.801 0.81 . . . . 0.0 110.854 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.7 m-20 -60.07 -39.94 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.26 -15.4 0.41 Allowed Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.21 -41.5 87.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.069 -1.253 . . . . 0.0 108.673 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.18 -40.05 88.63 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.81 92.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.36 75.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 109.673 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -43.53 95.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.79 -39.9 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.846 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.19 1.05 57.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.369 -0.832 . . . . 0.0 110.417 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -40.92 35.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.781 -1.2 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -38.35 82.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.436 -0.79 . . . . 0.0 109.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.45 -39.75 94.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.275 -0.891 . . . . 0.0 109.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.14 -19.21 28.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.076 -1.015 . . . . 0.0 109.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 57.64 -133.03 1.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.552 -0.717 . . . . 0.0 110.492 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.6 p -82.25 -8.27 59.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.568 -0.708 . . . . 0.0 110.845 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.07 78.07 4.56 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.656 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.03 -26.14 63.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.492 -0.755 . . . . 0.0 109.277 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.18 -40.37 93.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.12 79.86 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.187 -0.946 . . . . 0.0 109.489 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.61 -41.35 98.94 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.238 -0.914 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -40.4 88.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 109.148 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m -65.7 -38.9 90.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.421 -0.8 . . . . 0.0 109.759 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -68.61 -45.75 71.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -92.57 -0.87 57.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.348 -0.845 . . . . 0.0 109.213 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.3 m120 51.79 49.79 20.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 0.0 110.482 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.14 153.59 46.29 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.508 -0.745 . . . . 0.0 109.426 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' VAL . 86.2 Cg_endo -78.46 151.14 25.59 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.249 1.966 . . . . 0.0 111.366 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -38.03 -22.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.357 2.038 . . . . 0.0 113.324 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' PRO . 62.6 t -59.51 -61.39 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.856 -1.152 . . . . 0.0 110.105 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.99 -40.15 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.45 -0.781 . . . . 0.0 110.672 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.04 79.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.698 -1.251 . . . . 0.0 109.326 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -60.58 -39.96 89.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.175 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.13 -42.11 94.1 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.2 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.14 -40.25 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.932 -1.105 . . . . 0.0 108.206 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.12 -40.0 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.72 27.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.684 -0.635 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -92.01 -45.61 8.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.96 130.12 45.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.283 -0.886 . . . . 0.0 108.74 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -79.73 -27.25 40.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.012 -1.055 . . . . 0.0 110.019 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.08 -45.35 49.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.994 -1.066 . . . . 0.0 110.564 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 71.7 m -79.87 -29.97 40.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.149 -0.969 . . . . 0.0 110.773 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.2 -56.05 6.87 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.937 -1.102 . . . . 0.0 111.089 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.36 152.65 28.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.161 -0.962 . . . . 0.0 110.234 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.85 155.9 27.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.414 -0.804 . . . . 0.0 110.01 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.2 -89.98 0.01 OUTLIER Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -83.76 111.58 19.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.026 -1.279 . . . . 0.0 109.239 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -78.29 -110.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.0 109.645 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.459 ' O ' ' O ' ' A' ' 49' ' ' ALA . 23.9 ttt 55.96 157.74 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.563 0.697 . . . . 0.0 110.18 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -84.6 158.45 20.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 109.63 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.14 67.85 0.79 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -79.54 154.5 28.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.022 -1.281 . . . . 0.0 108.457 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.5 p -95.77 126.31 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.062 -1.024 . . . . 0.0 109.283 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 74.6 m-20 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.524 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.422 0.629 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -95.29 144.97 25.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.87 . . . . 0.0 110.927 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.5 m-20 -60.02 -39.93 87.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -14.94 0.41 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.9 mt -60.63 -41.38 87.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.127 -1.22 . . . . 0.0 108.593 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -40.09 88.91 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.61 91.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.499 -0.751 . . . . 0.0 109.033 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.25 75.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.03 -43.59 95.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.901 -1.125 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.67 -39.97 93.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.429 -0.795 . . . . 0.0 109.768 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.41 1.27 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.36 -40.96 37.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.874 -1.141 . . . . 0.0 109.444 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.17 -37.98 81.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.7 -39.78 95.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.837 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -87.06 -19.21 28.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.104 -0.998 . . . . 0.0 109.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 57.45 -133.05 1.29 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.57 0.7 . . . . 0.0 110.502 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -82.08 -8.39 59.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.576 -0.703 . . . . 0.0 110.818 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -77.95 77.94 4.45 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -26.01 63.81 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.476 -0.765 . . . . 0.0 109.339 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.15 -40.46 93.93 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.08 79.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.218 -0.926 . . . . 0.0 109.549 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.62 -41.4 98.98 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.93 -40.41 88.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.073 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.65 -38.87 90.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -68.72 -45.65 70.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.687 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.65 -0.82 57.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.415 -0.803 . . . . 0.0 109.309 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.3 m120 51.73 49.83 20.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.388 -0.82 . . . . 0.0 110.584 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.21 153.66 46.35 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 121.511 -0.743 . . . . 0.0 109.343 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' B' ' 31' ' ' VAL . 87.9 Cg_endo -78.42 151.34 25.89 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.233 1.955 . . . . 0.0 111.447 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -38.24 -22.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.429 2.086 . . . . 0.0 113.268 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.8 t -59.66 -61.4 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.81 -1.181 . . . . 0.0 110.072 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.95 -40.03 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.48 -0.763 . . . . 0.0 110.709 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.29 78.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.691 -1.255 . . . . 0.0 109.206 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.369 -0.832 . . . . 0.0 109.194 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.99 -42.32 93.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.335 -0.853 . . . . 0.0 110.34 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.9 -40.31 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.948 -1.095 . . . . 0.0 108.18 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.14 -40.0 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.9 27.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.709 -0.619 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.2 m -91.91 -45.47 8.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.96 130.11 45.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.34 -0.85 . . . . 0.0 108.898 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.69 -27.27 40.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.091 -1.005 . . . . 0.0 110.061 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.03 -45.4 49.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.038 . . . . 0.0 110.632 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.87 -30.04 40.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.025 -1.047 . . . . 0.0 110.806 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.33 -55.61 7.67 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.929 -1.107 . . . . 0.0 111.208 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.53 152.6 28.58 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.109 -0.994 . . . . 0.0 110.258 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -80.03 155.64 27.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.436 -0.79 . . . . 0.0 109.955 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.08 -90.23 0.01 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -83.48 111.61 19.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.214 -1.168 . . . . 0.0 109.174 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -78.25 -110.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 0.0 109.713 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.455 ' O ' ' O ' ' B' ' 49' ' ' ALA . 23.7 ttt 55.7 157.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.68 0.752 . . . . 0.0 110.202 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -83.66 158.48 21.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 0.0 109.839 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.14 67.45 0.79 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -79.32 153.85 29.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -1.222 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.476 ' O ' HG13 ' B' ' 54' ' ' VAL . 9.3 p -95.38 126.39 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.091 -1.005 . . . . 0.0 109.254 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 74.7 m-20 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.646 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.32 143.36 29.66 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.568 0.699 . . . . 0.0 110.696 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.2 t0 -59.97 -38.79 83.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -16.12 0.4 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' ASP . 72.1 mt -60.13 -41.42 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 0.0 108.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.32 -40.04 89.15 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -61.54 -39.29 90.55 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.586 -0.696 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.31 -39.88 84.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.05 -43.97 95.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.744 -1.223 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.89 -39.94 93.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.521 -0.737 . . . . 0.0 110.131 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.04 8.68 38.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 110.135 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -51.03 -40.34 58.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.048 -1.033 . . . . 0.0 109.197 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.6 -39.86 89.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.403 -0.811 . . . . 0.0 110.214 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -62.03 -40.04 94.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.005 -1.059 . . . . 0.0 109.606 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.62 -15.47 34.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.136 -0.977 . . . . 0.0 109.075 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.7 m80 57.81 -137.09 0.94 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.62 -0.675 . . . . 0.0 109.714 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -85.97 -0.13 54.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.35 76.9 8.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.008 -1.058 . . . . 0.0 109.48 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.02 -26.33 64.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.119 -0.988 . . . . 0.0 109.666 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.14 -40.77 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 110.1 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.05 79.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.962 . . . . 0.0 108.8 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.493 ' C ' ' SD ' ' A' ' 22' ' ' MET . 15.4 tmm? -60.13 -47.57 85.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.555 -0.716 . . . . 0.0 109.106 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -55.47 -39.6 70.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.111 -0.993 . . . . 0.0 109.438 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -65.29 -40.0 93.29 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.692 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.07 -40.02 75.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.229 -0.919 . . . . 0.0 110.229 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -95.66 -0.42 51.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.075 -1.015 . . . . 0.0 109.243 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 87.2 m-20 50.28 43.63 26.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.116 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -106.94 121.49 44.69 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.397 -0.815 . . . . 0.0 109.903 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.5 Cg_exo -44.42 145.31 2.58 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.672 1.581 . . . . 0.0 111.284 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.69 -21.42 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.072 1.848 . . . . 0.0 113.396 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -58.49 -57.8 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.809 -1.182 . . . . 0.0 110.337 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.98 -40.8 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 0.0 110.044 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.59 72.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.774 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -59.97 -39.04 84.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.57 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.405 -0.81 . . . . 0.0 110.62 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.2 -40.28 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.839 -1.163 . . . . 0.0 108.941 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.7 -40.09 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.41 -21.97 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.693 . . . . 0.0 110.278 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -91.96 -38.64 12.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.998 -1.063 . . . . 0.0 109.732 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.9 132.69 54.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.664 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.88 -30.69 40.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 0.0 110.488 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -71.96 -40.38 68.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.971 . . . . 0.0 110.284 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -86.3 7.39 25.59 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.09 -1.006 . . . . 0.0 109.756 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.99 -70.0 0.53 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.0 109.833 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -83.81 140.69 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.839 . . . . 0.0 109.409 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -71.35 -35.79 71.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.211 -0.931 . . . . 0.0 109.005 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.52 -14.37 9.3 Favored Glycine 0 N--CA 1.502 3.071 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 43.7 mp0 -85.36 129.48 34.8 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.915 -1.344 . . . . 0.0 109.701 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.82 -62.34 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.097 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.7 mtt -76.97 140.91 40.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 109.517 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -86.19 141.87 29.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 109.565 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.68 158.44 8.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -81.83 120.27 24.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.008 -1.289 . . . . 0.0 109.07 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.14 120.9 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.48 -179.762 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.406 HD12 HD21 ' B' ' 28' ' ' LEU . 81.2 mt -99.45 143.57 29.55 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.601 -0.687 . . . . 0.0 110.623 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 5' ' ' ILE . 37.2 t0 -60.01 -38.53 82.94 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.31 -15.89 0.47 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' B' ' 3' ' ' ASP . 72.4 mt -60.19 -41.64 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.213 -1.169 . . . . 0.0 108.62 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.08 -40.02 88.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.71 -38.81 89.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.511 -0.743 . . . . 0.0 109.222 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.81 86.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 0.0 110.342 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.05 -44.05 94.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.683 -1.261 . . . . 0.0 109.203 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.9 -40.01 93.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.538 -0.726 . . . . 0.0 109.991 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.12 8.63 39.31 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.147 -0.971 . . . . 0.0 110.105 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 47.8 t -50.83 -40.16 55.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.263 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.81 -39.93 90.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 0.0 110.214 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.88 -39.99 93.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.968 . . . . 0.0 109.6 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.61 -15.6 34.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.097 -1.002 . . . . 0.0 109.074 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 57.72 -137.2 0.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.649 -0.657 . . . . 0.0 109.707 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -85.75 -0.2 54.58 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.26 -0.9 . . . . 0.0 110.288 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.26 77.09 8.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.917 -1.115 . . . . 0.0 109.516 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -69.98 -26.61 64.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.94 91.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.007 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.97 79.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.496 ' C ' ' SD ' ' B' ' 22' ' ' MET . 15.3 tmm? -60.11 -47.43 85.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.468 -0.77 . . . . 0.0 109.025 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -55.62 -39.45 70.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.523 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -65.39 -40.05 92.99 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.331 -0.856 . . . . 0.0 109.678 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.98 -40.01 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.235 -0.916 . . . . 0.0 110.221 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -95.62 -0.48 51.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.142 -0.974 . . . . 0.0 109.297 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 87.3 m-20 50.35 43.45 26.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.923 . . . . 0.0 110.117 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 HD12 ' B' ' 2' ' ' LEU . 24.2 mt -106.93 121.48 44.73 Favored Pre-proline 0 N--CA 1.498 1.925 0 O-C-N 121.496 -0.753 . . . . 0.0 109.944 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 31' ' ' VAL . 99.0 Cg_exo -44.35 145.32 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.627 1.551 . . . . 0.0 111.234 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.76 -21.12 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.175 1.917 . . . . 0.0 113.294 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -58.57 -57.75 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.898 -1.126 . . . . 0.0 110.35 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -41.01 78.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.43 -0.794 . . . . 0.0 110.016 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.52 72.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.113 -0.992 . . . . 0.0 109.763 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.08 -39.02 84.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.433 -0.792 . . . . 0.0 110.558 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.96 -40.96 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.82 -1.175 . . . . 0.0 108.904 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.26 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 108.596 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.99 62.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 110.299 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.28 -38.51 12.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.639 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.95 132.78 55.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.029 -1.044 . . . . 0.0 108.579 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -80.11 -30.59 39.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.107 -0.995 . . . . 0.0 110.44 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -72.0 -40.66 68.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.03 -1.043 . . . . 0.0 110.23 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -86.12 7.53 24.5 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.107 -0.996 . . . . 0.0 109.678 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -79.19 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.267 -0.896 . . . . 0.0 109.824 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -83.57 140.76 32.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.359 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -71.46 -36.01 71.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.004 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.93 -14.49 9.04 Favored Glycine 0 N--CA 1.502 3.071 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' B' ' 48' ' ' GLU . 43.7 mp0 -85.27 129.35 34.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.943 -1.327 . . . . 0.0 109.789 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.7 -62.43 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.6 mtt -76.65 140.36 40.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.476 -0.765 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -85.67 141.98 29.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.072 -1.017 . . . . 0.0 109.575 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.39 158.5 8.38 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -81.96 120.46 25.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.885 -1.362 . . . . 0.0 109.176 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.15 120.3 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.436 -0.79 . . . . 0.0 108.928 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.494 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.592 0.711 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 143.03 31.07 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.713 . . . . 0.0 110.771 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.5 m-20 -60.0 -39.38 85.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.39 -15.13 0.12 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.5 mt -60.06 -36.02 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.527 -0.984 . . . . 0.0 108.485 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.39 82.39 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 37.6 ttmt -62.71 -39.95 95.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.79 77.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.202 -0.936 . . . . 0.0 109.944 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.03 -40.54 89.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -40.34 90.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.408 -0.807 . . . . 0.0 110.581 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 31.2 mp0 -100.53 15.75 26.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -49.2 -43.88 42.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.9 -1.125 . . . . 0.0 109.4 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.3 -34.25 73.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.621 -0.675 . . . . 0.0 110.148 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -60.03 -39.22 85.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -85.3 -16.3 40.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.883 -1.136 . . . . 0.0 108.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.87 -132.9 1.41 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 109.986 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.9 p -83.19 -7.49 59.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.202 -0.936 . . . . 0.0 110.199 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.5 76.11 5.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.98 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -69.97 -23.65 63.2 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.395 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -39.98 89.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.99 92.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.948 . . . . 0.0 109.562 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.89 -42.36 98.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.67 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -66.22 -39.98 89.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 0.0 110.591 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.91 -40.08 75.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.014 -1.054 . . . . 0.0 110.316 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -96.79 -1.65 45.82 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.265 -0.897 . . . . 0.0 109.605 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.6 m120 53.49 43.64 30.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.209 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 mt -112.92 151.61 44.22 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.26 154.62 51.61 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.001 1.8 . . . . 0.0 112.362 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.01 -26.27 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.878 2.385 . . . . 0.0 113.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.88 -50.31 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 120.917 -1.114 . . . . 0.0 110.152 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.06 -41.89 52.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.032 -1.042 . . . . 0.0 110.431 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.53 68.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.861 -1.149 . . . . 0.0 109.808 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.29 -40.01 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.107 -0.995 . . . . 0.0 109.906 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.89 -40.05 91.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 0.0 110.271 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.03 -40.62 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.044 -1.035 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.98 -40.07 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.69 -17.73 25.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.742 -0.599 . . . . 0.0 110.067 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -91.67 -45.24 8.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.929 -1.107 . . . . 0.0 108.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.47 129.42 41.91 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.07 -33.95 50.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.913 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.958 -1.089 . . . . 0.0 110.891 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.0 m -77.91 -30.46 50.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.859 -1.15 . . . . 0.0 110.211 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -76.09 -64.19 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.054 -1.029 . . . . 0.0 108.827 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -86.26 125.94 33.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' CD ' ' H ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -79.97 158.94 26.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.33 -5.48 89.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -81.98 130.01 34.95 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.307 -1.113 . . . . 0.0 109.416 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.84 -68.41 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.938 . . . . 0.0 109.436 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 99.0 mtp -76.9 159.3 30.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 108.827 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -77.82 -35.06 51.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.218 -0.926 . . . . 0.0 110.004 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 -175.25 0.06 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -82.25 151.67 26.71 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -1.152 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 54' ' ' VAL . 3.4 m -95.55 135.8 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.087 -1.008 . . . . 0.0 109.242 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.327 -179.735 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 74.3 mt -100.52 142.99 31.23 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.57 0.7 . . . . 0.0 110.82 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.2 m-20 -60.01 -39.25 85.18 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.35 -15.37 0.13 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.1 mt -59.9 -36.15 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -1.01 . . . . 0.0 108.49 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.42 82.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 37.5 ttmt -62.64 -40.04 95.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.401 -0.812 . . . . 0.0 109.247 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.86 77.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.99 -40.66 89.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.032 -1.043 . . . . 0.0 109.87 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -40.4 90.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.366 -0.834 . . . . 0.0 110.606 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 31.2 mp0 -100.47 15.58 27.44 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.24 -43.96 43.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.977 -1.077 . . . . 0.0 109.377 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.21 -34.32 73.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.58 -0.7 . . . . 0.0 110.226 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.99 -39.32 85.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.776 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -85.21 -16.27 40.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.976 -1.078 . . . . 0.0 108.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.93 -132.71 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.498 -0.752 . . . . 0.0 110.044 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -83.35 -7.51 59.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 110.186 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -78.54 76.26 5.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.916 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.6 p-90 -70.11 -23.7 63.08 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.282 -0.886 . . . . 0.0 109.293 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.24 -40.0 88.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.018 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.95 91.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.923 . . . . 0.0 109.52 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.84 -42.52 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.181 -0.949 . . . . 0.0 109.735 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -40.01 87.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 109.762 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -66.25 -39.9 89.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.337 -0.852 . . . . 0.0 110.661 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.96 -40.03 75.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.001 -1.062 . . . . 0.0 110.294 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.94 -1.63 45.34 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.23 -0.919 . . . . 0.0 109.564 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 53.4 43.83 30.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.05 151.67 44.34 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.24 154.54 51.64 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.056 1.837 . . . . 0.0 112.307 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -40.95 -26.31 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.889 2.392 . . . . 0.0 113.853 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.02 -49.91 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 110.278 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.37 -41.6 50.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.047 -1.033 . . . . 0.0 110.395 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.48 69.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.961 -1.087 . . . . 0.0 109.737 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.19 -40.06 88.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.026 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.0 -39.9 91.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.287 -0.883 . . . . 0.0 110.266 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.11 -40.44 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.041 -1.037 . . . . 0.0 108.404 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.06 -40.06 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.9 27.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 110.006 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -91.5 -45.11 8.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.979 -1.076 . . . . 0.0 108.684 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -59.64 129.42 41.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -77.93 -34.03 51.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 111.06 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.71 -42.86 70.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.993 -1.067 . . . . 0.0 110.951 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.6 m -78.14 -30.32 49.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.849 -1.157 . . . . 0.0 110.167 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -76.14 -64.38 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.083 -1.011 . . . . 0.0 108.864 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.07 126.1 33.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.016 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -80.03 159.08 26.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.213 -0.929 . . . . 0.0 109.101 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.5 -5.25 90.08 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -82.09 130.07 34.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -1.142 . . . . 0.0 109.433 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.84 -68.82 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.212 -0.93 . . . . 0.0 109.355 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 99.3 mtp -76.5 158.9 30.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.03 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' B' ' 52' ' ' GLY . 16.0 p-80 -77.56 -34.66 53.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.069 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . 49.95 -175.29 0.05 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -82.12 151.83 26.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -1.173 . . . . 0.0 109.319 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.418 ' H ' HG22 ' B' ' 54' ' ' VAL . 3.4 m -95.58 135.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.089 -1.007 . . . . 0.0 109.167 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.335 -179.784 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.88 140.81 30.11 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.723 0.773 . . . . 0.0 110.867 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.0 m-20 -60.02 -38.42 82.63 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 -14.37 0.41 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 66.7 mt -59.89 -39.38 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.509 -0.995 . . . . 0.0 108.951 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.02 -38.41 82.61 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -38.5 91.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.865 . . . . 0.0 108.878 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.85 71.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.07 -40.73 90.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.133 -0.979 . . . . 0.0 108.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -40.0 94.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.517 -0.739 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.24 0.06 57.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 110.331 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.98 -44.1 40.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.888 -1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.13 -38.11 82.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.289 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.4 -40.01 89.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.44 -14.14 44.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 109.245 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 59.04 -138.4 0.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.756 . . . . 0.0 110.292 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -80.77 -8.24 59.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.05 76.06 4.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.0 109.591 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.24 -25.14 63.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.469 -0.769 . . . . 0.0 109.39 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.29 -40.26 89.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.649 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.13 83.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.0 109.357 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.83 -40.0 94.48 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.263 -0.898 . . . . 0.0 109.511 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.31 93.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.979 -1.075 . . . . 0.0 109.72 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -64.41 -40.03 94.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.133 -0.979 . . . . 0.0 110.248 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.94 -40.01 75.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.014 . . . . 0.0 110.55 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -92.79 -0.74 57.21 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.923 -1.111 . . . . 0.0 109.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 52.12 48.22 23.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.574 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -116.98 151.21 47.19 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.477 -0.764 . . . . 0.0 109.149 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.92 154.29 53.2 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.066 1.844 . . . . 0.0 112.182 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.07 -27.59 1.04 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.488 2.125 . . . . 0.0 113.361 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -52.49 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.93 -1.106 . . . . 0.0 110.273 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.48 -40.11 63.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.751 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.47 69.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.158 -0.964 . . . . 0.0 109.713 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.013 . . . . 0.0 109.836 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.4 -40.01 92.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.356 -0.84 . . . . 0.0 110.488 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.59 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.52 -39.93 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.52 -20.74 48.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.874 -0.516 . . . . 0.0 109.96 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.1 m -96.59 -34.38 11.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.985 . . . . 0.0 109.555 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.39 132.4 53.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.148 -0.97 . . . . 0.0 108.907 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.216 -0.928 . . . . 0.0 111.465 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.992 -1.067 . . . . 0.0 110.587 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.3 2.09 41.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.857 -1.152 . . . . 0.0 109.91 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -76.66 -69.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.069 -1.019 . . . . 0.0 108.748 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.61 152.36 27.22 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -78.24 -11.57 59.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.962 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.69 6.6 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.824 -1.179 . . . . 0.0 110.402 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -153.94 75.21 1.02 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.332 . . . . 0.0 109.696 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.4 165.58 24.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.408 -0.807 . . . . 0.0 109.724 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 ttm 61.77 38.19 15.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.429 -0.795 . . . . 0.0 109.521 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -151.66 157.97 42.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.444 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.63 178.47 45.39 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -79.96 -70.07 0.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.249 . . . . 0.0 109.882 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.26 -28.59 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.293 -0.88 . . . . 0.0 109.392 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.502 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.85 140.92 29.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.725 0.774 . . . . 0.0 110.897 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.8 m-20 -60.06 -38.54 83.11 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -14.47 0.39 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 3' ' ' ASP . 66.3 mt -60.04 -39.37 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.466 -1.02 . . . . 0.0 108.896 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.91 -38.45 82.36 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.08 -38.44 91.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 108.848 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.94 71.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -0.836 . . . . 0.0 109.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.01 -40.6 89.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.109 -0.995 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -39.96 94.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.458 -0.776 . . . . 0.0 110.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -90.18 -0.08 57.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.231 -0.918 . . . . 0.0 110.291 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -48.84 -44.21 39.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.998 -1.064 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.05 -38.22 82.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.418 -0.801 . . . . 0.0 109.24 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.39 -40.0 89.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.42 -13.98 44.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.151 -0.968 . . . . 0.0 109.314 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 58.97 -138.32 0.78 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.49 -0.756 . . . . 0.0 110.213 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -8.37 59.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.568 -0.707 . . . . 0.0 110.2 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 75.82 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.644 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.01 -25.08 63.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.805 . . . . 0.0 109.476 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.32 90.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.883 . . . . 0.0 109.619 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.03 83.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.97 -39.97 94.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.168 -0.958 . . . . 0.0 109.496 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.42 94.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.055 . . . . 0.0 109.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.3 m -64.4 -39.93 94.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.978 . . . . 0.0 110.486 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -92.92 -0.59 57.19 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.946 -1.096 . . . . 0.0 109.35 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 52.13 48.25 23.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.86 . . . . 0.0 110.581 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -117.0 151.18 47.16 Favored Pre-proline 0 N--CA 1.501 2.097 0 O-C-N 121.433 -0.792 . . . . 0.0 109.093 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.92 154.32 53.17 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.072 1.848 . . . . 0.0 112.12 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.03 -27.48 0.98 Allowed 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.48 2.12 . . . . 0.0 113.376 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -52.8 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.921 -1.112 . . . . 0.0 110.225 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.19 -40.12 65.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -51.43 69.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.27 -40.0 88.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 109.88 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.33 -40.05 92.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 0.0 110.47 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.0 -42.5 89.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 120.988 -1.07 . . . . 0.0 108.189 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.68 -39.95 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.88 48.7 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.697 -0.627 . . . . 0.0 109.971 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.4 m -96.44 -34.55 11.47 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.097 -1.002 . . . . 0.0 109.618 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.18 132.51 54.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.12 -0.987 . . . . 0.0 108.909 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.439 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -69.97 -40.04 75.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.914 -1.116 . . . . 0.0 110.566 -178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.21 1.98 42.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.889 -1.132 . . . . 0.0 109.818 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -76.6 -69.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.043 -1.036 . . . . 0.0 108.982 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.56 152.31 27.3 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -78.2 -11.47 59.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.142 -0.974 . . . . 0.0 110.038 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.43 49.6 6.63 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.359 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -153.93 75.13 1.01 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.904 -1.351 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.16 165.79 24.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.408 -0.807 . . . . 0.0 109.653 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 35.7 ttm 61.54 38.24 15.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 109.488 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -151.67 158.03 42.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.282 -0.886 . . . . 0.0 109.461 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.67 178.52 45.43 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.02 -70.15 0.54 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -1.234 . . . . 0.0 109.824 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.23 -28.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.366 -0.834 . . . . 0.0 109.343 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.94 -1.028 . . . . 0.0 109.51 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.8 mt -97.25 142.39 29.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.804 0.812 . . . . 0.0 111.026 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 87.4 m-20 -60.05 -39.91 87.6 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.9 -13.97 0.23 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.7 mt -60.2 -39.97 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.218 -1.166 . . . . 0.0 108.846 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.41 -39.86 88.91 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 63.6 tttp -61.92 -38.61 89.08 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -32.88 68.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 110.078 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.25 -40.04 88.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.099 -1.001 . . . . 0.0 110.136 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.32 -40.03 89.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.246 -0.909 . . . . 0.0 111.13 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 55.2 mp0 -93.2 -0.83 56.76 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.832 -1.167 . . . . 0.0 110.298 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.59 -37.65 41.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 109.944 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.07 -40.07 88.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.753 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.87 -27.71 65.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.998 -1.064 . . . . 0.0 110.216 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.61 -16.4 39.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.874 -1.141 . . . . 0.0 109.125 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 58.6 -139.56 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.509 -0.744 . . . . 0.0 109.982 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -85.02 -0.03 53.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.386 -0.821 . . . . 0.0 109.884 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.45 78.47 5.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.978 -1.076 . . . . 0.0 109.805 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.98 -25.15 63.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.213 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.22 -40.45 90.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.924 . . . . 0.0 110.075 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.51 70.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.08 -1.012 . . . . 0.0 109.728 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -60.85 -40.07 91.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.67 83.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.893 -1.129 . . . . 0.0 109.299 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -67.41 -38.02 83.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 0.0 110.202 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.29 -39.92 78.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.014 -1.054 . . . . 0.0 110.193 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -94.93 -0.55 53.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.262 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 m120 51.68 48.94 21.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.32 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 mt -116.3 150.65 45.71 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.316 -0.865 . . . . 0.0 109.387 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.35 156.98 60.6 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.219 1.946 . . . . 0.0 111.456 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.73 -24.87 2.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.356 2.037 . . . . 0.0 113.473 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -50.32 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.831 -1.168 . . . . 0.0 110.685 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.16 -40.1 29.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 120.741 -1.224 . . . . 0.0 110.507 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.04 67.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.915 -1.115 . . . . 0.0 109.467 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.42 -39.87 92.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.451 -0.781 . . . . 0.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.05 -39.96 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -40.02 82.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -60.12 -22.58 62.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.7 -0.625 . . . . 0.0 109.91 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.9 m -95.2 -35.95 11.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.06 -1.025 . . . . 0.0 109.307 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.6 t -59.41 128.07 35.24 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -75.34 -33.91 61.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.236 -0.915 . . . . 0.0 110.97 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.09 -41.44 74.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.082 -1.011 . . . . 0.0 110.53 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -87.01 0.93 54.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.216 -0.928 . . . . 0.0 110.31 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 38' ' ' ALA . 69.8 tp60 -69.78 -59.32 3.02 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.009 -1.057 . . . . 0.0 109.573 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.43 124.17 32.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 0.0 109.577 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.0 mptp? -78.13 147.5 34.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.0 108.984 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.84 80.49 0.01 OUTLIER Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 50' ' ' MET . 98.3 mt-10 -149.2 -57.73 0.21 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.118 -1.225 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.48 -89.97 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.824 -0.548 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . 26.9 ttt -160.35 71.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.984 . . . . 0.0 110.131 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -84.24 -21.79 31.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.055 -1.028 . . . . 0.0 109.371 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.74 79.08 0.03 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -80.94 -8.56 59.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.217 -1.166 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.5 t -135.16 119.2 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.632 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.7 mt -97.27 142.34 29.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.0 110.963 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 5' ' ' ILE . 87.5 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -13.79 0.23 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.6 mt -60.27 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.282 -1.128 . . . . 0.0 108.812 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.27 -39.91 88.5 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 63.6 tttp -61.83 -38.84 89.67 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.8 -32.86 67.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 110.169 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.24 -40.16 89.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.032 -1.043 . . . . 0.0 110.149 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.39 -40.0 89.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.194 -0.941 . . . . 0.0 111.053 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 11' ' ' GLU . 56.2 mp0 -93.11 -0.9 56.9 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.931 -1.106 . . . . 0.0 110.375 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.53 -37.87 41.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.09 -1.006 . . . . 0.0 109.877 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.199 -0.938 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.85 -27.64 65.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.01 -1.056 . . . . 0.0 110.353 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.63 -16.35 39.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.827 -1.17 . . . . 0.0 109.154 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 58.66 -139.39 0.77 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.64 -0.663 . . . . 0.0 109.932 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -84.98 -0.03 52.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.84 . . . . 0.0 109.926 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.66 78.55 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.988 -1.07 . . . . 0.0 109.79 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.08 -25.08 63.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.398 -0.813 . . . . 0.0 109.136 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.38 -40.45 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 0.0 110.079 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.66 70.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.113 -0.992 . . . . 0.0 109.713 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -60.8 -40.06 91.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.04 84.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.01 -1.056 . . . . 0.0 109.265 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -67.22 -37.92 84.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.333 -0.854 . . . . 0.0 110.289 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.22 -40.14 78.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.158 -0.964 . . . . 0.0 110.126 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.05 -0.21 53.86 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 m120 51.39 49.02 21.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 110.387 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -116.5 150.78 46.11 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.364 -0.835 . . . . 0.0 109.286 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.44 156.97 60.46 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.182 1.921 . . . . 0.0 111.628 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.6 -25.07 2.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.439 2.093 . . . . 0.0 113.543 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.815 -1.178 . . . . 0.0 110.61 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.38 -40.19 28.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.885 -1.135 . . . . 0.0 110.508 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.883 -1.136 . . . . 0.0 109.602 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.05 -40.12 88.35 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.376 -0.827 . . . . 0.0 109.538 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.39 -39.98 92.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 110.54 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.01 -40.05 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -22.89 63.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.76 -0.588 . . . . 0.0 109.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.3 m -94.9 -35.88 11.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.066 -1.021 . . . . 0.0 109.41 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.37 127.97 34.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -75.29 -33.84 61.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.192 -0.943 . . . . 0.0 110.935 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.13 -41.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.0 110.517 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.03 0.79 54.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.126 -0.984 . . . . 0.0 110.201 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -69.68 -59.63 2.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.979 -1.076 . . . . 0.0 109.505 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.04 124.46 32.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.492 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' B' ' 48' ' ' GLU . 5.0 mptp? -78.49 147.63 33.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.91 80.41 0.01 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 50' ' ' MET . 98.3 mt-10 -149.04 -57.73 0.21 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.132 -1.217 . . . . 0.0 109.236 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 38.63 -89.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.179 0.514 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 48' ' ' GLU . 26.8 ttt -160.39 70.55 0.42 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.125 -0.984 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.39 -21.88 32.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.66 78.92 0.02 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -80.77 -8.64 59.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.287 -1.125 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.18 119.17 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.621 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.52 142.23 31.28 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.837 0.827 . . . . 0.0 111.592 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.06 -38.29 82.39 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -12.37 0.17 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 42.5 mt -59.93 -38.16 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.437 -1.037 . . . . 0.0 109.061 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 52.8 t0 -59.93 -37.68 80.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 108.918 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.57 -36.73 84.63 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.85 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 109.665 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.89 -41.39 91.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.062 . . . . 0.0 109.546 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.81 -39.91 90.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.321 -0.862 . . . . 0.0 110.001 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.04 7.35 44.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.208 -0.933 . . . . 0.0 110.424 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -50.08 -47.43 53.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 108.997 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.73 -39.66 89.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.587 -0.696 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.149 -0.969 . . . . 0.0 109.881 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -85.68 -11.86 52.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 59.26 -134.37 0.89 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.541 -0.725 . . . . 0.0 110.525 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.2 0.92 54.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 0.0 110.39 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.27 78.02 6.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.935 -1.103 . . . . 0.0 109.194 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.93 -26.29 64.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.155 -0.965 . . . . 0.0 110.036 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.035 -1.04 . . . . 0.0 110.083 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.32 93.29 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 108.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.5 ttm -60.03 -45.24 93.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.829 . . . . 0.0 109.541 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.34 -43.95 92.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.271 -0.893 . . . . 0.0 109.505 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -63.66 -39.98 95.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 0.0 110.439 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.0 -40.51 75.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.166 -0.959 . . . . 0.0 110.909 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.67 0.02 52.18 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.043 -1.036 . . . . 0.0 109.333 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.6 m120 53.72 50.04 17.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.36 -0.837 . . . . 0.0 110.147 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.8 mt -120.13 152.67 54.79 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.69 150.83 45.68 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.01 1.807 . . . . 0.0 111.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -40.97 -23.88 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.439 2.093 . . . . 0.0 113.197 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.05 -50.44 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.954 -1.091 . . . . 0.0 110.281 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.93 -40.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.321 -0.862 . . . . 0.0 110.562 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.13 78.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.076 -1.015 . . . . 0.0 109.257 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.11 -39.94 91.86 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.298 -0.876 . . . . 0.0 110.109 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.33 -40.6 94.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.79 -40.76 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.09 -39.98 85.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' OE1' ' A' ' 44' ' ' GLN . . . -62.87 -18.0 62.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.815 -0.553 . . . . 0.0 110.277 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -94.1 -38.11 11.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.805 -1.184 . . . . 0.0 109.051 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.45 131.82 51.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 108.791 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -78.38 -33.01 49.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.557 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -70.31 -40.1 74.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.979 -1.076 . . . . 0.0 110.407 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.9 m -86.25 -1.87 57.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.999 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.519 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 64.6 tp60 -69.66 -58.79 3.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.86 -1.15 . . . . 0.0 109.657 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.35 139.17 30.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.21 131.47 36.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.177 -0.952 . . . . 0.0 109.432 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.06 -140.07 6.16 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -82.17 144.56 30.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.382 -1.07 . . . . 0.0 109.02 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.38 -39.77 77.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 109.792 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.8 mmm -71.81 138.91 48.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.24 -0.912 . . . . 0.0 108.974 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.5 m80 53.41 41.22 32.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.93 136.76 50.99 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -81.05 131.74 35.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -1.123 . . . . 0.0 109.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.04 -77.8 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.152 -0.967 . . . . 0.0 108.994 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.163 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -99.46 142.24 31.19 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.813 0.816 . . . . 0.0 111.458 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.7 m-20 -60.11 -38.47 83.1 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -12.36 0.15 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 43.0 mt -59.99 -38.21 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.438 -1.036 . . . . 0.0 109.029 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 52.4 t0 -59.84 -37.8 80.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 108.802 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -65.64 -36.49 83.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 109.439 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.82 72.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.609 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.99 -41.45 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.009 -1.057 . . . . 0.0 109.419 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.56 -40.09 90.33 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.245 -0.91 . . . . 0.0 110.086 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -92.94 7.57 43.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.175 -0.953 . . . . 0.0 110.441 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -50.27 -47.34 55.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.818 -1.176 . . . . 0.0 108.964 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.57 -40.04 90.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.588 -0.695 . . . . 0.0 110.233 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.16 -0.962 . . . . 0.0 110.049 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -85.79 -11.85 52.43 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 59.39 -134.41 0.88 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.745 . . . . 0.0 110.602 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.37 1.05 54.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.468 -0.77 . . . . 0.0 110.351 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.37 77.93 7.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.092 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.95 -26.09 63.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.148 -0.97 . . . . 0.0 110.222 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.96 -40.14 88.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.03 -1.044 . . . . 0.0 110.238 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.25 93.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 108.927 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.8 ttm -60.14 -45.55 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.508 -0.745 . . . . 0.0 109.532 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.99 -44.13 91.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.451 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -63.65 -39.98 95.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.0 110.492 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.04 -40.12 75.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.076 -1.015 . . . . 0.0 110.947 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.95 0.06 51.35 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.985 -1.072 . . . . 0.0 109.184 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 53.66 50.08 17.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.328 -0.857 . . . . 0.0 110.197 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 58.6 mt -120.15 152.73 54.93 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.538 -0.726 . . . . 0.0 109.041 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 150.83 45.5 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.061 1.841 . . . . 0.0 112.018 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.01 -23.82 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.399 2.066 . . . . 0.0 113.166 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.86 -50.59 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.861 -1.149 . . . . 0.0 110.412 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.91 -40.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.056 -1.027 . . . . 0.0 109.234 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.64 -40.05 90.54 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.53 -40.27 94.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 109.977 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.14 -40.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.41 -40.05 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.554 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -62.71 -19.16 63.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.824 -0.548 . . . . 0.0 110.213 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -93.07 -38.13 11.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.023 -1.048 . . . . 0.0 109.29 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -60.31 132.04 52.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.21 -0.931 . . . . 0.0 108.686 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -78.38 -33.02 49.15 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.229 -0.919 . . . . 0.0 110.609 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -70.41 -40.02 74.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 110.408 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -86.32 -2.11 58.11 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.065 -1.022 . . . . 0.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.4 tp-100 -69.25 -59.06 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.869 -1.144 . . . . 0.0 109.514 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.4 138.91 31.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -78.81 131.39 36.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.172 -0.955 . . . . 0.0 109.507 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.95 -140.02 6.04 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -82.01 144.38 30.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.45 -1.029 . . . . 0.0 109.146 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.99 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.071 -1.018 . . . . 0.0 109.778 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.8 mmm -71.63 139.53 49.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.076 -1.015 . . . . 0.0 108.899 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.8 m80 52.93 41.3 31.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 109.465 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.08 136.8 50.89 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -80.86 131.69 35.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -1.067 . . . . 0.0 109.192 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.96 -77.84 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 109.074 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.13 179.676 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -102.06 140.04 36.88 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.553 0.692 . . . . 0.0 110.803 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' ILE . 56.7 t0 -60.04 -40.0 87.86 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.05 -9.98 0.26 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' ASP . 30.4 mt -59.97 -32.27 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -1.116 . . . . 0.0 108.634 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 89.0 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.161 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.27 85.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.525 -0.734 . . . . 0.0 109.508 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -33.64 69.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.907 . . . . 0.0 109.857 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.021 -1.049 . . . . 0.0 109.796 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' A' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.46 86.11 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.955 -1.091 . . . . 0.0 110.057 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -89.95 1.23 56.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 110.232 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -40.06 39.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.0 109.401 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.07 -39.63 86.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 109.438 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 68.6 mttm -63.23 -36.82 84.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 0.0 110.162 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -85.92 -19.38 30.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.924 -1.11 . . . . 0.0 109.556 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 31.3 m80 58.04 -134.5 1.07 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.401 -0.812 . . . . 0.0 109.778 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -84.51 -5.4 59.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 110.468 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -80.33 81.28 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.863 -1.148 . . . . 0.0 109.78 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -70.0 -23.8 63.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.17 -0.956 . . . . 0.0 109.154 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.4 -40.07 89.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 0.0 109.798 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.72 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 36' ' ' ILE . 35.3 ttm -60.72 -49.05 79.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 109.615 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.37 -38.39 71.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.158 -0.964 . . . . 0.0 110.194 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.08 -1.013 . . . . 0.0 110.843 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.56 -39.89 73.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.941 -1.1 . . . . 0.0 110.732 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.59 -4.55 47.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.104 -0.998 . . . . 0.0 109.441 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.8 m120 52.19 49.4 20.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 0.0 110.189 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 mt -116.74 161.27 33.02 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.452 -0.78 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -70.62 160.7 48.58 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.422 1.415 . . . . 0.0 110.924 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.42 -20.45 33.03 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.198 1.932 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -50.1 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.326 -0.859 . . . . 0.0 110.141 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.27 -44.81 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 111.147 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.847 -1.158 . . . . 0.0 109.96 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.06 -39.98 87.89 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.291 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.77 -40.16 96.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 110.5 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.7 mt -60.38 -41.57 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.28 -40.05 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.536 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.58 -22.09 63.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.457 -0.777 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 m -91.91 -38.38 12.33 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.928 -1.107 . . . . 0.0 109.406 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.4 t -59.55 127.71 33.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -78.43 -27.09 46.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.08 -40.64 64.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.956 -1.09 . . . . 0.0 110.104 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -86.2 -1.23 57.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.068 . . . . 0.0 109.905 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.9 tp-100 -70.09 -59.97 2.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.112 -0.992 . . . . 0.0 110.451 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -91.41 135.98 33.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.247 -0.908 . . . . 0.0 109.593 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -80.75 -9.96 59.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.515 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 163.21 33.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 86.6 tt0 -76.44 -39.97 51.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -1.1 . . . . 0.0 109.806 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 73.42 122.17 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.432 -0.792 . . . . 0.0 109.202 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.9 ttp -159.56 -48.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.111 -0.993 . . . . 0.0 109.829 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -85.52 126.47 33.88 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.89 0.01 OUTLIER Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -80.41 149.65 30.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.072 -1.251 . . . . 0.0 108.956 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 54' ' ' VAL . 3.7 m -97.62 134.21 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.295 -0.878 . . . . 0.0 109.462 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.49 -179.752 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 70.4 mt -102.08 140.04 36.89 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.571 -0.705 . . . . 0.0 110.798 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 56.7 t0 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.94 -10.16 0.26 Allowed Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 30.1 mt -59.91 -32.34 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -1.117 . . . . 0.0 108.634 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 89.1 m-20 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.184 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.41 85.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.421 -0.799 . . . . 0.0 109.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.26 -33.75 69.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.837 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.03 -44.72 94.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.977 -1.077 . . . . 0.0 109.829 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' B' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.47 86.14 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.003 -1.061 . . . . 0.0 110.062 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -89.98 1.44 56.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.87 -40.07 41.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.026 -1.046 . . . . 0.0 109.46 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.419 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 68.7 mttm -63.08 -36.76 84.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 110.226 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -85.99 -19.4 30.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.881 -1.137 . . . . 0.0 109.559 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 31.4 m80 58.08 -134.44 1.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.731 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.6 m -84.57 -5.29 59.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.35 81.18 6.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.143 . . . . 0.0 109.806 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -69.95 -23.85 63.26 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.168 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -40.07 89.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.848 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.53 94.98 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.245 -0.909 . . . . 0.0 108.949 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.504 ' SD ' HD12 ' B' ' 36' ' ' ILE . 35.3 ttm -60.75 -49.16 78.6 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.343 -0.848 . . . . 0.0 109.565 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.23 -38.45 71.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -0.961 . . . . 0.0 110.233 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.63 88.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.02 -1.05 . . . . 0.0 110.78 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.57 -39.93 73.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.982 -1.074 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -94.55 -4.53 47.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.105 -0.997 . . . . 0.0 109.472 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 52.11 49.35 20.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.87 . . . . 0.0 110.167 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 mt -116.68 161.31 32.72 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.433 -0.792 . . . . 0.0 109.098 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.6 160.62 48.85 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.389 1.392 . . . . 0.0 110.834 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.39 -20.51 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.147 1.898 . . . . 0.0 111.047 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.198 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.24 -44.48 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.966 -1.084 . . . . 0.0 111.144 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.65 80.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.79 -1.194 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.12 -39.87 87.77 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.341 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.96 -39.98 96.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.504 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.7 mt -60.43 -41.66 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.781 -1.2 . . . . 0.0 108.062 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.23 -40.07 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.3 63.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.579 -0.701 . . . . 0.0 109.986 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -91.68 -38.42 12.43 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.925 -1.11 . . . . 0.0 109.5 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.47 127.72 33.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 108.51 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -78.51 -26.95 46.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 110.373 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.17 -40.55 64.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.834 -1.166 . . . . 0.0 110.159 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.3 m -86.27 -1.33 57.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 109.921 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.99 -60.09 2.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.074 -1.016 . . . . 0.0 110.446 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -91.4 135.99 33.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -80.69 -9.92 59.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.122 -0.987 . . . . 0.0 109.584 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.87 163.24 33.44 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 86.6 tt0 -76.38 -40.09 51.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.365 -1.079 . . . . 0.0 109.839 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 73.58 121.95 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 109.18 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 47.9 ttp -159.35 -49.03 0.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.097 -1.002 . . . . 0.0 109.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -85.01 126.74 33.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.328 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.64 57.91 0.01 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -80.5 149.74 29.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.0 -1.294 . . . . 0.0 108.914 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.75 134.32 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.233 -0.917 . . . . 0.0 109.336 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.3 t0 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.463 -179.783 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -99.33 140.02 34.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.537 -0.727 . . . . 0.0 110.857 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.14 -39.9 87.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.4 -12.35 0.18 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.6 mt -59.93 -35.56 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.272 -1.134 . . . . 0.0 108.642 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.9 -40.08 87.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.22 -39.13 93.75 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.26 79.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.01 -41.82 92.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 109.158 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.74 -39.95 93.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.414 -0.804 . . . . 0.0 110.03 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.96 1.88 56.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.317 -0.864 . . . . 0.0 110.611 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -50.66 -42.15 56.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.907 -1.121 . . . . 0.0 109.187 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.78 -38.67 86.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.346 -0.847 . . . . 0.0 109.603 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 50.4 tptt -59.93 -40.04 87.58 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.423 -0.798 . . . . 0.0 109.598 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.14 -14.52 43.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.993 -1.067 . . . . 0.0 109.761 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.7 0.95 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.252 -0.905 . . . . 0.0 110.229 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m -84.9 -2.46 57.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.476 -0.765 . . . . 0.0 110.005 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.82 72.39 6.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.69 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.88 -26.17 64.06 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.811 . . . . 0.0 108.984 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.49 -40.11 90.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.305 -0.872 . . . . 0.0 109.596 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.92 -44.88 79.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.627 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.87 -40.42 97.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.96 84.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -68.65 -35.26 77.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.458 -0.776 . . . . 0.0 110.223 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.16 -42.93 75.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.98 . . . . 0.0 109.458 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.68 -0.04 56.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.492 -0.755 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.16 49.95 20.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.116 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -116.98 152.29 48.53 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.582 -0.699 . . . . 0.0 109.12 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.03 152.05 45.48 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.002 1.802 . . . . 0.0 112.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.4 -25.75 0.3 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.507 2.138 . . . . 0.0 113.524 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -50.18 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 0.0 110.398 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.31 -41.74 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.101 -0.999 . . . . 0.0 109.841 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.04 83.49 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.19 -0.944 . . . . 0.0 109.06 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -60.28 -40.12 89.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.083 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -64.26 -40.19 95.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.428 -0.795 . . . . 0.0 110.299 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.53 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.11 -40.07 82.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -18.98 34.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.716 -0.615 . . . . 0.0 109.594 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -92.22 -46.68 7.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 0.0 108.744 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -59.93 128.12 35.27 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.96 -26.15 40.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.001 -1.062 . . . . 0.0 110.447 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.38 -44.74 50.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.066 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.28 -26.16 42.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -74.85 -64.99 0.93 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.13 . . . . 0.0 109.517 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.33 121.44 28.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 108.942 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -82.95 103.34 12.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.13 -145.5 2.36 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -85.57 139.3 31.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -1.058 . . . . 0.0 108.914 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -82.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.141 -0.975 . . . . 0.0 109.731 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.9 ttt 54.88 11.29 0.46 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.144 -0.972 . . . . 0.0 109.275 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -153.08 164.19 38.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.701 -1.25 . . . . 0.0 109.272 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.61 67.41 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.9 136.6 33.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.183 -1.187 . . . . 0.0 109.183 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.84 133.73 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.516 -0.74 . . . . 0.0 109.616 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.4 t0 . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.297 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.46 140.02 34.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.547 -0.72 . . . . 0.0 110.867 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.1 m-20 -60.11 -39.88 87.74 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.39 -12.28 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' B' ' 3' ' ' ASP . 49.8 mt -59.91 -35.63 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.375 -1.074 . . . . 0.0 108.647 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.13 -39.24 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.3 79.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.589 -0.695 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.03 -41.68 92.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.104 -0.997 . . . . 0.0 109.139 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -40.06 93.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.421 -0.799 . . . . 0.0 110.077 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.87 1.86 56.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.563 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -50.66 -42.23 56.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 0.0 109.153 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.67 -38.58 85.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.291 -0.881 . . . . 0.0 109.706 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 50.4 tptt -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 109.518 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.09 -14.53 44.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.732 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' B' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.62 0.95 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.128 -0.983 . . . . 0.0 110.244 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -84.94 -2.37 57.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.322 -0.861 . . . . 0.0 110.028 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -79.78 72.23 6.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.055 . . . . 0.0 108.81 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.75 -26.17 64.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.384 -0.823 . . . . 0.0 109.021 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.58 -40.13 90.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.87 79.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 109.696 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.4 ttp -62.78 -40.47 97.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.636 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.01 84.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.919 -1.113 . . . . 0.0 109.166 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -68.55 -35.44 77.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.487 -0.758 . . . . 0.0 110.142 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -68.92 -43.02 76.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.66 -0.03 56.26 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 51.2 49.95 20.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -116.98 152.15 48.35 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.435 -0.79 . . . . 0.0 109.104 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.95 152.1 45.96 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.01 1.807 . . . . 0.0 111.949 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.52 -25.79 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.604 2.203 . . . . 0.0 113.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -50.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.902 -1.124 . . . . 0.0 110.42 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.16 -41.59 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.125 -0.984 . . . . 0.0 109.972 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.94 83.97 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -60.51 -39.93 89.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.341 -0.849 . . . . 0.0 109.043 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -40.14 95.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.255 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.68 -40.06 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.28 -40.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.0 34.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.746 -0.596 . . . . 0.0 109.699 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -92.16 -46.78 7.58 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 108.71 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.03 128.13 35.31 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.01 -26.08 39.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.026 -1.046 . . . . 0.0 110.4 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.31 -44.77 51.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.969 -1.082 . . . . 0.0 110.094 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.29 -26.16 42.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 110.368 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -74.8 -65.28 0.89 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.915 -1.116 . . . . 0.0 109.514 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.2 mt -86.1 121.46 28.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 108.871 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -82.92 103.19 12.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.327 -0.858 . . . . 0.0 109.735 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.28 -145.47 2.52 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -85.61 139.37 31.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -1.083 . . . . 0.0 108.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' B' ' 51' ' ' HIS . . . -68.92 -82.38 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.03 . . . . 0.0 109.696 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 17.9 ttt 54.59 11.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.41 ' CE1' ' HG2' ' B' ' 53' ' ' GLN . 0.7 OUTLIER -152.99 164.24 38.34 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.692 -1.255 . . . . 0.0 109.372 -179.613 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.6 67.37 0.06 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' B' ' 51' ' ' HIS . 98.7 mm-40 -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.299 . . . . 0.0 109.161 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 54' ' ' VAL . 34.7 m -106.83 133.57 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.413 -0.804 . . . . 0.0 109.608 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.317 179.732 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.0 139.62 34.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.378 -0.826 . . . . 0.0 110.779 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 27.0 p-10 -60.54 -40.07 90.23 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -48.98 -10.65 0.14 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 35.2 mt -59.93 -32.12 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.23 -1.159 . . . . 0.0 108.516 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.92 -39.92 87.09 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.45 -39.03 93.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 109.222 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.68 69.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.05 -40.6 89.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.941 -1.099 . . . . 0.0 109.008 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.3 -39.3 86.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.543 -0.723 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.96 0.97 56.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.207 -0.933 . . . . 0.0 110.128 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.58 -47.42 57.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.133 -0.979 . . . . 0.0 109.089 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 43.3 mp0 -60.37 -39.23 86.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.0 108.9 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.1 tttt -61.22 -39.81 91.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.205 -0.935 . . . . 0.0 109.017 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.88 -15.68 43.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.928 . . . . 0.0 109.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 30.8 m80 58.07 -136.02 0.98 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.419 -0.8 . . . . 0.0 109.902 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -84.61 -2.29 57.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.802 . . . . 0.0 110.017 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.36 80.2 6.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.077 -1.015 . . . . 0.0 109.639 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.47 -23.51 62.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.945 . . . . 0.0 109.842 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.61 -41.74 95.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.149 -0.969 . . . . 0.0 110.268 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.16 90.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.363 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.9 ttm -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.297 -0.877 . . . . 0.0 109.287 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.52 -40.62 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 110.056 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -67.28 -39.64 86.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.7 -40.86 76.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.143 -0.973 . . . . 0.0 110.661 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -98.44 1.28 46.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.336 -0.852 . . . . 0.0 109.337 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.1 m120 52.39 47.88 23.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 110.153 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 19.5 mt -114.36 154.41 46.43 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.45 -0.781 . . . . 0.0 109.218 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.39 159.95 48.07 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.102 1.868 . . . . 0.0 111.31 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.53 -24.8 23.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 112.356 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.79 -50.24 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.1 -1.0 . . . . 0.0 110.448 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.67 -43.42 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 111.127 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.17 74.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.849 -1.157 . . . . 0.0 109.713 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.22 -39.96 88.5 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.404 -0.81 . . . . 0.0 109.129 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.01 -40.05 94.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.568 -0.708 . . . . 0.0 110.032 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.7 mt -60.13 -41.9 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.84 -1.162 . . . . 0.0 108.279 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -40.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.42 -21.17 63.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.69 -0.631 . . . . 0.0 109.954 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -88.64 -45.18 10.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.236 -0.915 . . . . 0.0 109.528 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.1 t -58.72 126.18 26.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.155 -0.965 . . . . 0.0 108.617 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -77.33 -24.59 50.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.054 -1.029 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -72.46 -40.13 67.23 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.695 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.17 1.53 52.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.056 -1.028 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.6 tp-100 -77.63 -70.18 0.49 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -0.984 . . . . 0.0 108.725 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.67 145.28 26.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 109.093 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -79.47 128.96 34.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.156 -0.965 . . . . 0.0 108.679 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.48 -152.03 2.65 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.68 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.7 mt-10 -87.28 19.25 3.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.232 -1.158 . . . . 0.0 109.488 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 84.76 -147.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.798 -0.564 . . . . 0.0 109.569 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.3 mmt -76.69 127.66 33.19 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.851 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -89.95 1.98 55.63 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.412 -0.805 . . . . 0.0 109.596 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.89 13.65 1.19 Allowed Glycine 0 N--CA 1.499 2.877 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -80.01 133.64 36.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -1.176 . . . . 0.0 109.033 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 54' ' ' VAL . 47.0 t -96.87 -11.15 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 37.7 p-10 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.063 . . . . 0.0 109.531 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -98.95 139.94 33.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -0.879 . . . . 0.0 110.789 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 26.1 p-10 -60.9 -39.82 90.74 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -49.12 -10.84 0.17 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 35.2 mt -59.85 -31.77 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -1.094 . . . . 0.0 108.78 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.32 -39.81 88.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.34 -39.49 93.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.489 -0.757 . . . . 0.0 109.154 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.21 69.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 109.566 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.92 -40.17 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.101 -1.0 . . . . 0.0 109.058 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.79 -39.1 87.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.293 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.97 0.66 56.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.151 -0.968 . . . . 0.0 109.96 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -50.4 -47.33 56.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.131 -0.981 . . . . 0.0 109.278 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 45.8 mp0 -60.3 -39.29 86.43 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.27 -0.894 . . . . 0.0 109.163 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.2 tttt -61.22 -39.63 90.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 0.0 109.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -85.12 -16.07 41.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.309 -0.869 . . . . 0.0 108.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 32.8 m80 58.36 -135.93 0.94 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.564 -0.71 . . . . 0.0 109.861 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -84.45 -2.43 57.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.064 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.24 80.24 6.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 109.71 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -70.73 -23.22 62.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.077 -1.014 . . . . 0.0 109.713 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.77 -41.78 96.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.898 . . . . 0.0 110.156 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.17 90.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.454 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.8 ttm -60.76 -44.37 96.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.244 -0.91 . . . . 0.0 109.311 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.84 -40.3 88.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 0.0 109.872 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -67.42 -39.7 85.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.234 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.01 -40.75 75.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 110.515 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.2 1.41 47.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.6 m120 52.59 47.47 24.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 110.106 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 19.5 mt -114.0 154.25 46.07 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.425 -0.797 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.86 159.95 49.16 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.058 1.839 . . . . 0.0 111.25 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.76 -24.49 23.67 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.529 2.153 . . . . 0.0 112.261 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -50.24 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.067 -1.02 . . . . 0.0 110.392 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.55 -43.54 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.982 -1.074 . . . . 0.0 111.113 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.12 74.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.108 . . . . 0.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.21 -40.02 88.64 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.434 -0.792 . . . . 0.0 109.101 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.08 -40.04 94.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.84 . . . . 0.0 110.0 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.454 HD12 ' SD ' ' B' ' 22' ' ' MET . 85.0 mt -60.17 -42.31 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.924 -1.11 . . . . 0.0 108.297 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -21.68 64.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.546 -0.721 . . . . 0.0 109.973 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -88.41 -44.77 10.51 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.306 -0.871 . . . . 0.0 109.595 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.13 126.34 27.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.937 -1.102 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.33 -24.47 50.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.946 -1.096 . . . . 0.0 109.871 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -72.52 -39.91 67.22 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.069 -1.019 . . . . 0.0 109.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.61 1.6 53.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 109.648 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 53.9 tp60 -77.58 -70.28 0.48 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.028 -1.045 . . . . 0.0 108.523 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.95 145.95 25.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -79.79 129.15 34.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.024 -1.048 . . . . 0.0 108.626 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.27 -152.33 2.37 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 98.8 mt-10 -87.12 19.66 3.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.291 -1.123 . . . . 0.0 109.393 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 84.39 -147.59 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.824 -0.547 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 16.3 mmt -76.46 128.26 34.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.171 -0.955 . . . . 0.0 109.348 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -89.85 1.55 56.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.52 -0.738 . . . . 0.0 109.588 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.25 13.62 1.14 Allowed Glycine 0 N--CA 1.499 2.859 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -79.83 133.48 36.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -1.159 . . . . 0.0 109.025 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 54' ' ' VAL . 47.2 t -96.97 -11.15 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.133 -0.98 . . . . 0.0 109.736 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 36.6 p-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.098 -1.001 . . . . 0.0 109.511 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.506 0.67 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.4 mt -99.21 142.47 30.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.466 -0.771 . . . . 0.0 110.25 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 86.0 m-20 -60.04 -39.5 86.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.36 -15.56 0.25 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.964 -1.655 . . . . 0.0 108.964 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 69.4 mt -60.48 -40.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.318 -1.107 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.31 -39.95 94.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.782 . . . . 0.0 108.944 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.92 -35.48 78.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.796 . . . . 0.0 109.046 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB1' ' SD ' ' A' ' 22' ' ' MET . . . -59.79 -36.2 76.24 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.217 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.08 -42.96 95.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.038 -1.039 . . . . 0.0 109.062 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.56 -39.96 93.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.449 -0.782 . . . . 0.0 110.071 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -92.34 1.09 57.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.273 -0.892 . . . . 0.0 110.647 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -49.35 -44.53 44.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.907 -1.121 . . . . 0.0 109.361 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.354 -0.841 . . . . 0.0 109.486 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 80.3 tttt -62.57 -38.41 89.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 110.63 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.5 -10.99 57.98 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.839 -1.163 . . . . 0.0 110.034 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 25.1 m80 59.01 -137.19 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 109.717 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -87.63 1.43 53.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.872 . . . . 0.0 110.085 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 76.11 9.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.16 -25.9 63.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.807 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.07 -40.77 90.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.692 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.79 82.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 109.017 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.4 ' SD ' ' HB1' ' A' ' 8' ' ' ALA . 59.2 ttp -62.27 -41.77 98.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.378 -0.826 . . . . 0.0 109.771 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.49 -39.81 81.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.98 . . . . 0.0 109.122 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.81 -38.66 86.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.435 -0.791 . . . . 0.0 110.036 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.98 -39.93 75.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.11 -0.02 50.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.102 -0.999 . . . . 0.0 108.922 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.4 m120 53.58 47.42 23.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.398 -0.814 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' PRO . 45.2 mt -119.58 121.98 29.58 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.519 -0.738 . . . . 0.0 109.867 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 28' ' ' LEU . 71.4 Cg_exo -47.37 178.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.322 1.348 . . . . 0.0 111.485 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -64.93 -21.56 63.82 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.346 2.03 . . . . 0.0 113.339 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.46 -60.53 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.854 -1.154 . . . . 0.0 110.424 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.21 -40.66 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.581 -0.699 . . . . 0.0 110.54 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.76 84.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.968 -1.083 . . . . 0.0 109.378 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.482 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.03 -40.4 95.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 0.0 110.491 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.52 -40.72 85.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.99 -40.1 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.83 -18.66 60.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.749 -0.594 . . . . 0.0 110.362 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -94.26 -37.78 11.35 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.858 -1.151 . . . . 0.0 110.054 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.02 134.55 57.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.041 -1.037 . . . . 0.0 108.848 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.49 -32.7 48.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.8 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -71.24 -41.13 70.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.018 -1.051 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -84.99 5.66 28.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.023 -1.048 . . . . 0.0 109.7 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.5 tp-100 -77.42 -70.11 0.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.162 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -83.59 145.92 28.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 108.757 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.24 115.24 20.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.056 -1.028 . . . . 0.0 110.213 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.14 -135.86 11.38 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.6 158.58 25.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -1.062 . . . . 0.0 109.079 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' MET . . . -68.84 -106.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.172 -0.955 . . . . 0.0 109.8 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' ALA . 11.0 ptt? 39.52 49.92 2.04 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.581 -0.699 . . . . 0.0 110.471 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -80.12 -14.15 58.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.063 -1.023 . . . . 0.0 109.39 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.46 162.18 2.19 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -150.49 -20.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.277 -1.131 . . . . 0.0 109.581 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.42 141.83 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.267 -0.896 . . . . 0.0 109.981 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.22 -179.772 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.535 0.683 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.64 142.44 31.12 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.636 -0.665 . . . . 0.0 110.284 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' B' ' 5' ' ' ILE . 86.3 m-20 -59.93 -39.63 86.17 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.13 -16.06 0.23 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 3' ' ' ASP . 68.9 mt -60.12 -40.03 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.447 -1.031 . . . . 0.0 108.318 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.44 -39.91 94.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.448 -0.783 . . . . 0.0 109.022 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.68 -35.77 79.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.187 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' SD ' ' B' ' 22' ' ' MET . . . -59.71 -36.1 75.86 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.421 -0.8 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.91 -42.99 95.09 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.0 93.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.441 -0.787 . . . . 0.0 110.125 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.34 1.07 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.231 -0.918 . . . . 0.0 110.561 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -49.14 -44.81 42.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.153 . . . . 0.0 109.402 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.03 -39.08 84.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.371 -0.831 . . . . 0.0 109.496 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.428 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 80.3 tttt -62.55 -38.53 90.41 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.504 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -83.33 -11.21 57.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.851 -1.156 . . . . 0.0 110.032 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 24.5 m80 59.1 -137.55 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.659 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.9 m -87.31 1.24 53.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.457 -0.777 . . . . 0.0 110.151 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 75.92 9.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.05 -25.92 63.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.132 -0.98 . . . . 0.0 109.841 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.88 . . . . 0.0 109.725 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.59 82.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.298 -0.876 . . . . 0.0 108.971 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.405 ' SD ' ' HB1' ' B' ' 8' ' ' ALA . 59.3 ttp -62.38 -41.69 98.84 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.461 -0.774 . . . . 0.0 109.786 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.46 -40.01 81.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.168 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.5 -39.05 88.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 0.0 110.073 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.68 -40.1 76.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.085 -1.009 . . . . 0.0 110.282 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -96.01 0.05 51.18 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 108.969 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.3 m120 53.49 47.75 23.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 29' ' ' PRO . 45.0 mt -119.98 121.91 29.33 Favored Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.509 -0.744 . . . . 0.0 109.695 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' B' ' 28' ' ' LEU . 72.0 Cg_exo -47.36 178.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.501 1.467 . . . . 0.0 111.438 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.96 -21.5 63.76 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.308 2.005 . . . . 0.0 113.421 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.46 -60.78 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.0 -40.49 78.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.57 -0.706 . . . . 0.0 110.638 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.72 84.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 109.456 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.207 -0.933 . . . . 0.0 109.354 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.04 -40.27 95.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.38 -0.825 . . . . 0.0 110.416 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.57 -40.84 85.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.911 -1.118 . . . . 0.0 108.039 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.86 -40.08 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.59 60.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.694 -0.629 . . . . 0.0 110.468 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.1 m -94.23 -37.92 11.3 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.866 -1.146 . . . . 0.0 110.061 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.79 134.73 57.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.108 -0.995 . . . . 0.0 108.81 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.7 -32.82 47.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.24 -40.78 70.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.937 -1.102 . . . . 0.0 110.1 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.29 5.57 29.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.766 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -77.32 -69.94 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.191 -0.943 . . . . 0.0 109.168 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.82 145.99 28.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 108.704 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.28 115.28 20.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.021 -1.049 . . . . 0.0 110.13 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.09 -136.09 10.94 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -80.27 158.71 26.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.493 -1.004 . . . . 0.0 109.051 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 50' ' ' MET . . . -69.09 -106.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.072 -1.018 . . . . 0.0 109.679 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.4 ' C ' ' O ' ' B' ' 49' ' ' ALA . 11.0 ptt? 39.98 49.45 2.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -79.87 -14.16 58.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.031 -1.043 . . . . 0.0 109.478 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.54 162.29 2.21 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -150.36 -20.52 0.24 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.354 -1.086 . . . . 0.0 109.568 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.23 142.06 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.216 -0.928 . . . . 0.0 110.024 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.298 -179.709 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.44 32.14 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.946 0.879 . . . . 0.0 111.308 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.2 m-20 -59.99 -35.93 76.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 -10.96 0.25 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 32.1 mt -60.0 -40.01 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.481 -1.011 . . . . 0.0 108.983 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.01 -39.66 86.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.63 -39.23 90.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.346 -0.846 . . . . 0.0 109.283 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.18 73.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 0.0 109.916 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.93 -40.08 87.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.84 -40.11 91.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.275 -0.891 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.87 8.94 44.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.894 . . . . 0.0 110.862 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.09 -44.34 51.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.701 -1.249 . . . . 0.0 108.934 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.09 -38.98 84.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -0.813 . . . . 0.0 109.617 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.344 -0.848 . . . . 0.0 110.263 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.92 -18.92 31.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.125 . . . . 0.0 109.602 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 57.06 -125.34 1.82 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.009 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -86.24 -5.72 59.13 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 110.575 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -77.92 69.43 4.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.827 -1.171 . . . . 0.0 109.288 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.95 -20.13 63.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.12 -0.987 . . . . 0.0 108.578 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.46 -39.96 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 109.116 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.87 90.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.416 -0.803 . . . . 0.0 108.956 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.7 ttm -59.97 -48.51 81.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.1 t -66.16 -37.95 86.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 110.084 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -70.01 -39.96 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.466 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.08 -0.02 42.69 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 69.4 m-20 53.19 48.88 21.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.4 mt -118.53 151.52 49.84 Favored Pre-proline 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 109.228 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.1 154.64 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.108 1.872 . . . . 0.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -41.13 -24.3 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.777 2.318 . . . . 0.0 113.971 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -50.01 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.884 -1.135 . . . . 0.0 110.597 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.2 -41.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.11 -0.993 . . . . 0.0 111.247 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.47 75.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.792 -1.193 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.04 -39.94 87.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.56 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.085 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -60.82 -43.91 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.937 -1.102 . . . . 0.0 108.75 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.29 -38.08 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.22 -24.87 65.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.64 -0.662 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.87 -30.04 16.38 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.658 -1.276 . . . . 0.0 110.219 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.41 134.99 57.51 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.973 -1.079 . . . . 0.0 108.498 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.05 -27.05 48.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -74.24 -40.04 62.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.1 -1.0 . . . . 0.0 109.912 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.28 -1.27 56.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.111 -0.993 . . . . 0.0 110.342 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.7 tp-100 -68.53 -54.71 15.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.958 -1.089 . . . . 0.0 109.667 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.43 141.68 28.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.327 -0.858 . . . . 0.0 109.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -81.85 127.92 33.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 0.0 109.314 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.15 -161.16 0.49 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.11 141.48 31.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -1.113 . . . . 0.0 109.127 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.84 -177.85 1.72 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.099 -1.0 . . . . 0.0 109.072 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.581 ' SD ' ' SD ' ' B' ' 50' ' ' MET . 4.3 mmt 59.74 16.9 5.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.695 -0.628 . . . . 0.0 109.358 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -87.4 -23.78 24.42 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.094 -1.004 . . . . 0.0 109.708 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.36 161.56 39.24 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -158.32 121.82 3.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.453 -1.027 . . . . 0.0 109.261 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.9 t -98.79 136.35 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.171 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.332 179.636 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.52 32.02 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.905 0.86 . . . . 0.0 111.277 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -59.97 -36.14 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.35 -11.1 0.23 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' B' ' 3' ' ' ASP . 32.1 mt -59.94 -40.03 81.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.587 -0.949 . . . . 0.0 108.95 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.98 -39.8 86.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.395 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.5 -39.24 90.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.407 -0.808 . . . . 0.0 109.246 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.05 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.0 109.882 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.04 -40.08 88.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.965 -1.085 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.86 -40.06 91.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 0.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.86 8.94 44.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.323 -0.861 . . . . 0.0 110.844 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -50.29 -44.23 53.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.778 -1.201 . . . . 0.0 108.986 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.497 -0.752 . . . . 0.0 109.729 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 110.216 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -85.77 -19.02 31.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.869 -1.144 . . . . 0.0 109.615 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.15 -125.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.79 . . . . 0.0 110.009 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -86.42 -5.84 59.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.238 -0.914 . . . . 0.0 110.483 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -77.76 69.42 4.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.298 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -69.91 -20.21 63.37 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.257 -0.902 . . . . 0.0 108.574 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -60.48 -40.0 89.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.101 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.86 91.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 108.898 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.539 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.6 ttm -60.06 -48.62 80.97 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.367 -0.833 . . . . 0.0 109.404 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.57 -40.04 86.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.858 . . . . 0.0 109.491 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.4 t -66.38 -37.81 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -69.98 -40.09 75.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.376 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.03 0.07 43.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.28 -0.888 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 69.3 m-20 53.13 48.86 21.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 110.285 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.4 mt -118.59 151.45 49.82 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 121.339 -0.851 . . . . 0.0 109.264 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.1 154.61 57.37 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.163 1.909 . . . . 0.0 112.015 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.97 -24.54 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.799 2.333 . . . . 0.0 113.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -49.86 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.871 -1.143 . . . . 0.0 110.505 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.08 -41.28 45.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.048 -1.033 . . . . 0.0 111.274 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.47 75.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.882 -1.136 . . . . 0.0 109.974 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -59.97 -39.96 87.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.585 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.06 -40.25 88.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -0.873 . . . . 0.0 109.949 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.5 mt -60.79 -43.73 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.979 -1.076 . . . . 0.0 108.781 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.32 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.72 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.704 -0.622 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.89 -29.86 16.47 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.679 -1.263 . . . . 0.0 110.281 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.61 134.92 57.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 108.436 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.99 -27.01 48.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.015 -1.053 . . . . 0.0 109.965 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -74.22 -39.98 62.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.975 . . . . 0.0 109.898 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.23 -1.46 56.95 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.131 -0.98 . . . . 0.0 110.381 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.41 -54.61 16.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.964 -1.085 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.43 141.52 28.57 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -81.83 127.81 33.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.394 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.38 -161.3 0.53 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.15 141.57 30.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.276 -1.132 . . . . 0.0 109.066 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.72 1.68 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.083 -1.01 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.581 ' SD ' ' SD ' ' A' ' 50' ' ' MET . 4.4 mmt 59.56 16.86 5.64 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -87.13 -23.94 24.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.082 -1.012 . . . . 0.0 109.624 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.31 161.62 39.39 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -158.51 121.55 3.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.486 -1.008 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.47 136.18 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.35 -0.844 . . . . 0.0 110.231 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.309 179.538 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 71.0 mt -114.71 142.7 46.15 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 121.65 0.738 . . . . 0.0 110.469 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.1 m-20 -60.04 -39.13 84.89 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -13.16 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 54.6 mt -60.14 -36.42 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.348 -1.089 . . . . 0.0 108.53 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -60.03 -40.04 87.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.97 -39.86 95.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.72 77.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.478 -0.763 . . . . 0.0 109.939 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.97 -41.1 91.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.08 . . . . 0.0 108.75 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -36.94 85.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.443 -0.786 . . . . 0.0 109.973 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.89 1.27 57.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.161 -0.962 . . . . 0.0 110.723 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.41 -45.97 36.76 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.823 -1.173 . . . . 0.0 109.46 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.27 -40.03 88.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 109.737 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -0.976 . . . . 0.0 109.843 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.83 -10.22 58.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.985 -1.072 . . . . 0.0 109.229 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 59.32 -140.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.14 -1.21 54.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.199 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.99 74.51 6.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 0.0 108.93 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -69.99 -25.35 63.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.301 -0.874 . . . . 0.0 109.778 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.71 -40.5 92.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.424 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.41 84.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.95 -46.17 91.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.376 -0.827 . . . . 0.0 109.375 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.27 -40.81 82.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.008 -1.058 . . . . 0.0 109.508 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -64.5 -38.82 92.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.865 . . . . 0.0 110.101 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.29 -39.95 78.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.46 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.01 0.04 51.15 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.2 -0.937 . . . . 0.0 109.091 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.3 m120 51.63 47.84 24.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.34 -0.85 . . . . 0.0 110.393 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.3 153.15 44.17 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 66.3 Cg_endo -73.34 147.28 41.49 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.039 1.826 . . . . 0.0 111.734 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.49 -24.38 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.307 2.005 . . . . 0.0 112.951 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -59.99 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.816 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.32 -41.44 50.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.77 68.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -0.965 . . . . 0.0 109.501 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.14 -39.96 88.15 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.146 -0.971 . . . . 0.0 109.16 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.58 96.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.827 . . . . 0.0 110.043 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.54 -40.58 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.01 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.77 -20.43 49.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.692 -0.63 . . . . 0.0 109.846 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -87.99 -44.36 11.06 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 109.228 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.1 129.88 44.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.244 -0.91 . . . . 0.0 108.666 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -77.76 -24.69 48.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.118 -0.989 . . . . 0.0 110.005 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -77.92 -48.7 15.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.14 -0.975 . . . . 0.0 111.111 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.9 m -77.97 -29.76 49.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.054 -1.029 . . . . 0.0 110.81 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.0 tt0 -69.91 -55.34 9.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.845 -1.159 . . . . 0.0 109.668 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -87.15 123.39 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.162 -0.962 . . . . 0.0 108.984 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -75.05 139.71 43.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.007 -1.058 . . . . 0.0 109.159 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.83 77.55 0.66 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ALA . 10.0 pt-20 -155.1 -48.83 0.08 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.257 -1.143 . . . . 0.0 109.609 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.29 -129.34 0.22 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.324 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.0 174.31 9.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -0.79 . . . . 0.0 109.326 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -74.37 -30.39 61.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.247 -0.908 . . . . 0.0 108.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . 68.36 139.61 0.08 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 52' ' ' GLY . 55.7 tt0 52.6 103.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -1.073 . . . . 0.0 109.824 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 54' ' ' VAL . 11.3 p -90.6 124.86 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.108 -0.995 . . . . 0.0 108.909 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 t0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.654 -179.341 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.436 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 69.9 mt -114.76 142.7 46.18 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.617 0.722 . . . . 0.0 110.509 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 89.2 m-20 -60.03 -39.09 84.7 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -13.27 0.27 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 55.2 mt -60.04 -36.38 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.336 -1.097 . . . . 0.0 108.568 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -63.23 -39.66 95.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.54 77.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.386 -0.822 . . . . 0.0 109.909 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.16 -40.97 91.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.917 -1.114 . . . . 0.0 108.796 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.85 85.11 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.906 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.99 1.47 57.29 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.239 -0.913 . . . . 0.0 110.694 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 t -48.49 -46.08 37.76 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 109.497 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.884 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -83.98 -10.07 58.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.994 -1.066 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 59.35 -140.23 0.69 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.595 -0.69 . . . . 0.0 110.093 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.24 -1.25 54.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.0 74.43 6.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 108.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.04 -25.37 63.52 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.377 -0.827 . . . . 0.0 109.728 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.44 91.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.495 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.31 84.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.01 -46.07 92.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.364 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.43 -40.66 83.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.051 -1.031 . . . . 0.0 109.435 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -64.57 -38.98 92.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.052 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.13 -40.03 78.52 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.0 110.451 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.95 0.05 51.36 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.111 -0.993 . . . . 0.0 109.15 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.3 m120 51.43 47.86 24.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.44 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -111.33 153.23 44.16 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' B' ' 31' ' ' VAL . 66.1 Cg_endo -73.35 147.28 41.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.145 1.897 . . . . 0.0 111.802 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -40.58 -24.24 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.386 2.057 . . . . 0.0 112.876 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.2 t -59.94 -50.05 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.09 -1.006 . . . . 0.0 109.84 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.41 -41.36 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.76 68.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 109.51 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.7 97.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.521 -0.737 . . . . 0.0 109.893 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.56 -40.53 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.13 -40.03 85.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -20.44 48.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.66 -0.65 . . . . 0.0 109.86 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -87.91 -44.7 10.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 109.187 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.7 t -58.81 129.95 44.61 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 108.672 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -77.92 -24.7 48.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.064 -1.022 . . . . 0.0 109.971 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -77.9 -48.58 16.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.135 -0.978 . . . . 0.0 111.18 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.8 m -78.09 -29.81 49.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.007 -1.058 . . . . 0.0 110.837 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.69 -55.67 9.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.958 -1.089 . . . . 0.0 109.78 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.88 123.21 31.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.0 108.956 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.94 139.54 43.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 109.206 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.64 77.45 0.63 Allowed Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 49' ' ' ALA . 9.9 pt-20 -155.04 -48.66 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.123 -1.222 . . . . 0.0 109.682 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 38.17 -129.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.592 -0.692 . . . . 0.0 110.269 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.94 173.19 11.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.32 -0.862 . . . . 0.0 109.363 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -73.26 -30.43 63.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.27 -0.894 . . . . 0.0 109.068 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLN . . . 68.37 139.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 52' ' ' GLY . 55.7 tt0 52.55 103.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.443 -1.034 . . . . 0.0 109.798 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.509 ' O ' HG13 ' B' ' 54' ' ' VAL . 11.3 p -90.48 124.66 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.074 -1.016 . . . . 0.0 108.901 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.4 t0 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.537 -179.417 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.32 144.13 26.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.587 0.708 . . . . 0.0 110.6 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.1 87.88 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.68 -14.68 0.41 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 3' ' ' ASP . 67.9 mt -59.98 -43.17 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.24 -1.153 . . . . 0.0 108.488 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.8 -40.07 96.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.94 -39.86 95.12 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.57 71.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.97 -42.39 94.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.17 -40.0 92.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.513 -0.742 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.4 7.22 43.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.315 -0.866 . . . . 0.0 110.197 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.78 -39.94 53.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.062 -1.024 . . . . 0.0 109.231 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.63 -39.0 86.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.387 -0.821 . . . . 0.0 110.505 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.15 -40.04 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.19 -13.02 39.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.933 -1.105 . . . . 0.0 109.522 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 58.58 -135.39 0.94 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -86.66 0.02 55.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 109.795 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 80.46 6.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.965 -1.085 . . . . 0.0 109.216 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.96 -26.38 64.08 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.505 -0.747 . . . . 0.0 109.684 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.1 -41.75 93.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.146 -0.971 . . . . 0.0 110.151 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.84 81.32 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 109.21 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.2 ttp -62.36 -43.66 98.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.916 . . . . 0.0 109.525 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.42 -40.44 86.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -63.24 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.927 . . . . 0.0 109.947 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.17 -40.04 74.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.73 0.04 52.01 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.231 -0.918 . . . . 0.0 109.681 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 50.9 44.99 28.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 mt -110.66 115.03 54.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.514 -0.741 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' VAL . 85.8 Cg_exo -46.8 149.76 2.96 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.468 1.445 . . . . 0.0 111.472 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -39.81 -19.87 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.541 2.16 . . . . 0.0 113.409 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.3 t -60.03 -53.49 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 110.915 -178.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.11 -37.85 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 110.43 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.47 89.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.822 -1.174 . . . . 0.0 108.528 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.36 -40.0 89.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.504 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.897 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.01 -40.73 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.166 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.3 -40.03 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.51 56.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.529 -0.732 . . . . 0.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -87.18 -47.52 8.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.132 -0.98 . . . . 0.0 108.92 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.94 126.37 27.14 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.11 -26.16 47.87 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.176 -0.952 . . . . 0.0 109.873 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.24 -43.93 48.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.166 -0.959 . . . . 0.0 110.646 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.74 -28.75 33.18 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.966 -1.083 . . . . 0.0 110.918 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.01 -57.49 4.94 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.834 -1.166 . . . . 0.0 110.355 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -83.28 136.38 34.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.111 -0.993 . . . . 0.0 109.122 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.26 119.93 22.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.24 -159.64 0.28 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -85.42 142.9 28.92 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -1.215 . . . . 0.0 109.237 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.21 112.38 7.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.164 -0.96 . . . . 0.0 109.36 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.0 tpp -163.15 -23.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -86.44 135.74 33.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.483 -0.761 . . . . 0.0 109.048 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.09 -89.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -160.08 160.01 32.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -1.18 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.93 134.33 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.625 -179.794 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.14 144.24 25.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.499 -0.751 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.24 88.34 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -14.61 0.39 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' ASP . 67.1 mt -60.03 -43.04 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.0 108.495 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.95 -40.01 96.38 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.78 -39.93 95.46 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -34.68 71.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.652 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.18 -39.93 92.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.537 -0.727 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.42 7.37 43.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.27 -0.893 . . . . 0.0 110.203 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.78 -40.08 54.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.015 . . . . 0.0 109.166 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.51 -39.14 86.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.11 -40.06 92.35 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 0.0 110.391 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.15 -12.67 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 109.615 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 58.45 -135.34 0.96 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.86 . . . . 0.0 109.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -86.57 -0.13 55.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -0.84 . . . . 0.0 109.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.06 80.71 6.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.957 -1.089 . . . . 0.0 109.09 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.03 -26.25 63.95 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.424 -0.798 . . . . 0.0 109.697 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 0.0 110.152 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.91 80.76 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.037 -1.04 . . . . 0.0 109.213 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.4 ttp -62.24 -43.9 97.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.503 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.24 -40.29 85.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 0.0 109.761 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -63.39 -39.98 95.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.933 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.27 -39.98 74.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -95.53 0.01 52.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.238 -0.914 . . . . 0.0 109.713 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 82.0 m-20 50.81 44.96 27.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 109.692 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -110.59 114.99 54.38 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.784 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 84.9 Cg_exo -46.83 149.68 3.03 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.473 1.449 . . . . 0.0 111.478 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -39.64 -20.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.554 2.17 . . . . 0.0 113.444 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 70.4 t -60.04 -53.34 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.874 -1.141 . . . . 0.0 110.977 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.19 -37.77 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.985 -1.072 . . . . 0.0 110.423 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.58 88.93 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.904 -1.122 . . . . 0.0 108.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.26 -40.04 88.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.465 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.01 -40.34 97.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.451 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.93 -40.93 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 120.932 -1.105 . . . . 0.0 108.098 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.21 -39.99 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.567 -0.708 . . . . 0.0 109.649 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -87.33 -47.48 8.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.131 -0.981 . . . . 0.0 108.832 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -57.91 126.31 26.89 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -77.96 -26.23 48.64 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.87 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.41 -43.67 48.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 0.0 110.697 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.4 m -81.86 -28.79 32.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 110.903 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.01 -57.54 4.88 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -83.22 136.37 34.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.034 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -78.33 119.77 22.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 108.98 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.38 -159.83 0.28 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -85.45 142.87 28.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.25 . . . . 0.0 109.228 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.94 112.34 7.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.202 -0.936 . . . . 0.0 109.329 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.4 tpp -162.95 -24.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -85.59 136.25 33.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 109.154 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.58 -89.81 0.01 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -160.14 160.01 32.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.174 -1.192 . . . . 0.0 109.91 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -111.89 134.21 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.686 -179.85 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.9 mt -102.44 139.71 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 61.5 t0 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -12.46 0.14 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.2 mt -59.75 -31.81 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.347 -1.09 . . . . 0.0 108.233 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.68 -37.72 88.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.19 -0.944 . . . . 0.0 108.628 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.91 74.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 109.286 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 109.069 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.83 -39.97 91.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.429 -0.795 . . . . 0.0 109.978 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -90.06 1.63 56.13 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -49.32 -45.35 45.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.86 -39.46 89.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.634 -0.666 . . . . 0.0 109.586 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 109.386 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.25 -12.78 54.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -0.982 . . . . 0.0 109.513 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 57.42 -137.37 0.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.379 -0.825 . . . . 0.0 109.771 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m -83.55 -3.28 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.821 . . . . 0.0 109.654 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.81 76.56 6.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.98 -25.95 63.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.425 -0.797 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -40.12 93.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -0.918 . . . . 0.0 109.776 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.74 83.1 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.4 ttp -62.21 -41.86 98.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.956 . . . . 0.0 109.206 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.83 -39.9 78.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.169 -0.957 . . . . 0.0 109.18 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.09 -38.69 88.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.176 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -69.54 -43.85 72.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.699 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -91.56 -0.77 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.301 -0.874 . . . . 0.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.4 m-20 51.5 50.09 19.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.888 . . . . 0.0 110.111 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -119.45 152.01 52.27 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.439 -0.788 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 160.56 49.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 0.0 111.102 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.93 -24.04 23.14 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.03 -50.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.956 -1.09 . . . . 0.0 109.899 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.81 -42.61 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 0.0 109.928 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.83 72.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.553 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.38 -40.01 92.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.378 -0.826 . . . . 0.0 110.091 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.054 -1.029 . . . . 0.0 108.448 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.76 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.28 -24.05 62.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.644 -0.66 . . . . 0.0 110.555 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -93.93 -31.99 14.07 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.908 -1.12 . . . . 0.0 109.626 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.78 130.44 46.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.104 -0.998 . . . . 0.0 109.208 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.07 -38.68 63.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 111.199 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -70.85 -41.89 70.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.961 -1.087 . . . . 0.0 110.789 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -83.16 8.88 11.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.783 -1.198 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.5 tp-100 -77.85 -69.99 0.51 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.891 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.08 124.94 30.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.895 . . . . 0.0 109.179 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -78.67 132.41 37.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.876 . . . . 0.0 109.341 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.09 -176.75 1.15 Allowed Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.23 143.36 27.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -1.052 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -128.22 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm 54.82 39.95 31.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.951 . . . . 0.0 109.261 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -152.26 -61.31 0.16 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 0.0 109.181 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.8 -134.11 3.47 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -80.05 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -1.091 . . . . 0.0 109.14 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.25 139.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.16 -0.963 . . . . 0.0 109.568 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.627 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.4 139.78 37.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.586 -0.696 . . . . 0.0 110.956 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 60.8 t0 -59.97 -39.95 87.38 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.79 -12.58 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 40.1 mt -59.71 -31.82 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.32 -1.106 . . . . 0.0 108.293 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.66 -37.9 89.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.292 -0.88 . . . . 0.0 108.693 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.82 74.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 109.235 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.01 -40.22 88.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.85 -40.01 91.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.474 -0.767 . . . . 0.0 110.011 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -89.98 1.75 55.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 110.131 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.38 -45.38 45.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.037 -1.039 . . . . 0.0 109.086 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.79 -39.44 88.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.566 -0.709 . . . . 0.0 109.591 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.252 -0.905 . . . . 0.0 109.37 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -84.24 -12.85 54.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.085 -1.01 . . . . 0.0 109.508 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 57.41 -137.34 0.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.75 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -83.6 -3.1 57.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.676 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.04 76.46 6.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.274 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.4 -40.2 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.766 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.8 83.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.335 -0.853 . . . . 0.0 109.464 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.5 ttp -62.08 -41.96 98.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.23 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -39.9 78.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 0.0 109.262 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.2 -38.56 88.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.439 -0.788 . . . . 0.0 110.128 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -69.62 -43.71 72.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 109.778 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.71 -0.68 57.57 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.412 -0.805 . . . . 0.0 109.31 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 51.48 49.89 20.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 mt -119.39 152.04 52.16 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.411 -0.805 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.0 160.56 49.19 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.215 1.943 . . . . 0.0 111.081 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.0 -24.03 23.46 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.618 2.212 . . . . 0.0 112.744 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.94 -50.12 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.924 -1.11 . . . . 0.0 109.911 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.69 -42.67 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.881 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.72 72.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.165 -0.959 . . . . 0.0 109.742 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.43 -40.04 92.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.365 -0.835 . . . . 0.0 110.114 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.1 -40.09 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.054 -1.029 . . . . 0.0 108.424 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.72 -40.02 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.4 -23.9 62.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.551 -0.718 . . . . 0.0 110.562 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.3 m -93.91 -32.05 14.05 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.927 -1.108 . . . . 0.0 109.542 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.65 130.34 46.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 109.158 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -74.11 -38.66 63.76 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.84 . . . . 0.0 111.159 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -70.76 -41.92 71.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.948 -1.095 . . . . 0.0 110.822 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.02 8.69 12.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.738 -1.226 . . . . 0.0 109.508 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -77.76 -70.05 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.256 -0.902 . . . . 0.0 109.811 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.96 124.92 30.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.129 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -78.6 132.62 37.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.94 -176.86 1.05 Allowed Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -86.28 143.47 27.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -1.086 . . . . 0.0 109.704 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.94 -128.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm 54.55 40.01 31.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.18 -0.95 . . . . 0.0 109.371 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -152.2 -61.61 0.16 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.12 -134.12 3.44 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -79.96 -70.05 0.54 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -1.073 . . . . 0.0 109.197 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.31 139.85 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.267 -0.896 . . . . 0.0 109.52 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.66 -179.76 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.22 144.57 26.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.613 0.72 . . . . 0.0 110.593 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.9 m-20 -59.88 -40.08 87.46 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 178.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -19.59 0.29 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' ASP . 82.7 mt -60.23 -40.65 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.398 -1.06 . . . . 0.0 108.358 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -60.03 -40.12 88.22 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -64.92 -39.41 93.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.548 -0.72 . . . . 0.0 109.126 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.67 79.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 0.0 109.822 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.0 -43.31 95.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.039 -1.038 . . . . 0.0 109.863 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.1 -39.9 87.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.89 11.51 33.52 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.277 -0.889 . . . . 0.0 110.539 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.8 -39.94 40.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.006 . . . . 0.0 109.439 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 98.9 mt-10 -60.09 -39.29 85.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 63.2 tttp -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.967 . . . . 0.0 109.934 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -86.21 -17.52 34.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.951 -1.093 . . . . 0.0 109.494 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 27.3 m80 58.67 -137.63 0.83 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.115 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -83.98 -3.03 57.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.032 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.67 76.92 8.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.915 -1.115 . . . . 0.0 109.477 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.56 -17.11 61.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.214 -0.928 . . . . 0.0 109.536 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 20' ' ' ARG . 20.0 mmm-85 -60.04 -49.62 76.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.0 109.093 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.6 97.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.548 -0.72 . . . . 0.0 109.27 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -61.48 -46.71 88.85 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.307 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.13 -39.97 84.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.058 -1.026 . . . . 0.0 109.64 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -66.74 -37.76 85.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 0.0 110.153 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.084 -1.01 . . . . 0.0 109.619 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -95.15 -0.11 53.66 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.4 m-20 50.86 49.11 21.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.255 -0.903 . . . . 0.0 110.139 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.48 152.25 46.87 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 121.385 -0.822 . . . . 0.0 109.422 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.93 160.15 50.69 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.117 1.878 . . . . 0.0 110.56 178.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.09 -20.88 20.04 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.406 2.071 . . . . 0.0 111.55 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.02 -55.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.034 -1.041 . . . . 0.0 110.139 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -72.57 -42.1 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.253 -0.905 . . . . 0.0 110.406 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.79 72.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 0.0 109.686 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -60.07 -40.06 88.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.264 -0.897 . . . . 0.0 109.336 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.67 -40.5 92.34 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.473 -0.767 . . . . 0.0 110.145 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.07 -43.45 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.038 -1.039 . . . . 0.0 108.463 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.74 -39.97 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -19.67 45.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.695 -0.628 . . . . 0.0 110.295 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -91.76 -41.98 10.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.95 -1.093 . . . . 0.0 109.322 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -59.4 129.95 44.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.224 -0.922 . . . . 0.0 108.667 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.3 -36.0 61.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.276 -0.89 . . . . 0.0 110.793 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.74 -43.31 69.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.009 . . . . 0.0 110.956 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.23 -30.39 38.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.86 -1.15 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -72.63 -60.03 2.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.823 -1.173 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.46 129.4 34.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.084 -1.01 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -79.04 143.85 35.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.36 -0.838 . . . . 0.0 109.055 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.92 54.65 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.1 144.39 29.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.16 -1.2 . . . . 0.0 108.781 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.22 14.25 0.05 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 110.096 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.5 mtm -79.26 -94.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.958 . . . . 0.0 108.663 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -86.53 150.31 24.34 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.246 -0.909 . . . . 0.0 109.049 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.13 90.3 0.09 OUTLIER Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -74.06 -35.11 64.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -1.137 . . . . 0.0 110.154 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.92 1.71 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.235 -0.916 . . . . 0.0 109.594 -179.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.254 179.777 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.732 0.777 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -96.17 144.46 26.38 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.654 0.74 . . . . 0.0 110.529 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.2 m-20 -60.03 -39.92 87.53 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.62 -19.59 0.31 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' ASP . 82.6 mt -60.14 -40.84 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.37 -1.077 . . . . 0.0 108.279 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.0 -39.49 93.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.551 -0.718 . . . . 0.0 109.117 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.58 79.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.792 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.06 -43.06 95.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 109.872 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.25 -40.01 88.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 0.0 110.257 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.87 11.55 33.34 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.303 -0.873 . . . . 0.0 110.538 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -49.68 -40.04 38.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.013 -1.054 . . . . 0.0 109.51 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 98.8 mt-10 -60.04 -39.41 85.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.288 -0.883 . . . . 0.0 109.876 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.478 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 63.2 tttp -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.972 -179.04 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -86.29 -17.43 34.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 26.9 m80 58.61 -137.84 0.83 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.434 -0.791 . . . . 0.0 110.089 179.165 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -84.02 -2.97 57.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.934 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.54 76.79 8.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.981 -1.074 . . . . 0.0 109.415 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.64 -16.94 61.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 109.546 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' B' ' 20' ' ' ARG . 20.0 mmm-85 -60.4 -49.49 77.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.009 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -41.6 97.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.498 -0.751 . . . . 0.0 109.236 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.9 ttp -61.54 -46.62 89.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.1 -40.06 84.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.951 -1.093 . . . . 0.0 109.689 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -66.78 -37.71 85.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 110.108 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -69.15 -39.85 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.117 -0.989 . . . . 0.0 109.699 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -95.19 -0.09 53.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.3 m-20 50.72 49.38 21.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.65 152.3 47.11 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.06 160.08 50.9 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.208 1.939 . . . . 0.0 110.443 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.1 -20.87 20.06 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.322 2.015 . . . . 0.0 111.558 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.94 -55.47 23.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 110.17 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.53 -41.83 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.263 -0.898 . . . . 0.0 110.44 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.81 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.957 . . . . 0.0 109.591 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.0 109.387 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.59 -40.53 92.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.488 -0.757 . . . . 0.0 110.165 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.07 -43.58 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.102 . . . . 0.0 108.439 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.78 -39.92 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.96 -19.65 45.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.845 -0.534 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -91.84 -42.07 10.28 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.957 -1.09 . . . . 0.0 109.283 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.6 t -59.45 129.73 43.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 108.586 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.15 -36.19 61.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.307 -0.87 . . . . 0.0 110.775 -179.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.57 -43.0 70.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.0 110.981 -178.325 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 76.1 m -80.63 -30.32 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.649 -1.282 . . . . 0.0 110.525 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.59 -59.99 2.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.678 -1.264 . . . . 0.0 110.432 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -85.36 129.48 34.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -79.12 143.85 35.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.044 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.6 -50.61 56.69 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.32 144.37 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -1.167 . . . . 0.0 108.681 179.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.19 14.27 0.05 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.945 -1.097 . . . . 0.0 110.002 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.5 mtm -79.39 -94.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.003 -1.06 . . . . 0.0 108.647 179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -85.92 150.38 24.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.198 -0.939 . . . . 0.0 109.101 178.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.99 90.33 0.09 OUTLIER Glycine 0 N--CA 1.499 2.861 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -73.92 -35.07 64.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.293 -1.122 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.19 1.89 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.278 -0.889 . . . . 0.0 109.572 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.346 179.581 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.73 137.77 37.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 111.18 -178.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.6 m-20 -60.63 -39.44 88.24 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.28 -13.73 0.14 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 44.1 mt -58.69 -31.25 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -59.99 -40.12 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.04 -37.71 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.765 . . . . 0.0 108.985 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -37.17 77.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.819 . . . . 0.0 109.474 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -39.47 86.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.566 -0.709 . . . . 0.0 109.766 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -93.54 3.01 56.22 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.212 -0.93 . . . . 0.0 110.672 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.96 -47.22 52.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.73 -1.231 . . . . 0.0 109.066 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.17 -39.37 86.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.464 -0.772 . . . . 0.0 109.429 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.18 -40.03 88.56 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.278 -0.888 . . . . 0.0 109.782 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.12 -13.44 52.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.058 -1.027 . . . . 0.0 108.831 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 58.46 -134.42 1.01 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 110.11 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.83 -7.64 59.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.263 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.71 76.87 6.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.02 -1.05 . . . . 0.0 109.797 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.28 -27.01 64.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.866 . . . . 0.0 109.83 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -60.03 -40.0 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.009 -1.057 . . . . 0.0 109.817 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 108.807 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -62.12 -43.92 97.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.343 -0.848 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.99 84.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.129 -0.982 . . . . 0.0 109.389 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -65.34 -38.43 90.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.34 -0.85 . . . . 0.0 109.911 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.87 -40.21 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.163 -0.96 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -92.7 -1.27 56.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.105 -0.997 . . . . 0.0 109.179 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.11 48.81 21.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.521 -0.737 . . . . 0.0 110.734 179.024 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.6 151.4 48.31 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.15 152.91 56.87 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.953 1.769 . . . . 0.0 112.105 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.65 -24.83 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.45 2.1 . . . . 0.0 113.02 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.74 -50.15 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.991 -1.068 . . . . 0.0 110.229 -178.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.2 -40.94 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.864 -1.147 . . . . 0.0 109.632 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.88 67.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.258 -0.902 . . . . 0.0 109.436 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.05 -39.66 86.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.135 -0.978 . . . . 0.0 109.517 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.51 -40.13 93.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.252 -0.905 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.49 -41.35 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.907 -1.121 . . . . 0.0 108.522 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.51 -39.94 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.51 -18.71 31.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.673 -0.642 . . . . 0.0 110.174 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -91.33 -44.75 8.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.849 -1.157 . . . . 0.0 108.908 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.39 127.09 30.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.0 108.86 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.86 -25.83 44.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.685 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.12 -41.67 61.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.786 -1.196 . . . . 0.0 110.375 -179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.29 -28.19 34.75 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.152 -0.968 . . . . 0.0 111.119 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.04 -58.46 3.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.152 . . . . 0.0 110.286 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.64 138.43 32.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.024 -1.048 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -77.02 118.68 19.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.672 179.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.93 -148.18 6.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.21 87.53 7.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -1.153 . . . . 0.0 108.98 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.25 -146.02 0.1 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.373 -0.83 . . . . 0.0 109.97 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.8 ttt -73.29 140.36 46.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.486 -0.759 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -78.18 -31.58 49.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.994 . . . . 0.0 109.507 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.59 -38.15 3.39 Favored Glycine 0 N--CA 1.502 3.072 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 49.94 56.9 7.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.125 -1.22 . . . . 0.0 109.619 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.2 m -92.25 12.97 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.418 -0.801 . . . . 0.0 109.937 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.11 -0.993 . . . . 0.0 109.351 179.912 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.7 mt -99.43 137.73 37.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 111.227 -178.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.8 m-20 -60.73 -39.4 88.51 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.109 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.12 -13.73 0.12 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 179.068 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 44.5 mt -58.83 -31.17 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.13 -39.99 88.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -65.2 -37.91 88.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.34 77.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 109.505 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.21 -39.88 88.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.177 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.547 -0.721 . . . . 0.0 109.768 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.42 3.02 56.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.182 -0.949 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.9 -47.18 52.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.873 -1.142 . . . . 0.0 109.088 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.29 -39.38 86.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.376 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.13 -39.87 87.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.299 -0.875 . . . . 0.0 109.781 -179.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.2 -13.58 52.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.003 . . . . 0.0 108.854 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 58.56 -134.5 0.99 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.476 -0.765 . . . . 0.0 110.092 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.81 -7.37 59.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.444 -0.785 . . . . 0.0 110.338 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.99 77.0 6.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.751 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -70.46 -26.88 63.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.431 -0.793 . . . . 0.0 109.826 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -60.04 -40.04 88.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.68 79.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 108.754 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -62.34 -43.98 97.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.222 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.1 83.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.163 -0.96 . . . . 0.0 109.449 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -65.2 -38.59 90.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.926 . . . . 0.0 109.925 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.102 -0.999 . . . . 0.0 110.545 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.46 -1.14 57.2 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.027 -1.046 . . . . 0.0 109.24 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 52.96 48.87 21.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.78 179.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.58 151.42 48.32 Favored Pre-proline 0 N--CA 1.501 2.124 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.26 152.98 56.36 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.994 1.796 . . . . 0.0 111.996 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.73 -24.71 0.28 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.511 2.141 . . . . 0.0 113.158 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.86 -50.03 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.02 -1.05 . . . . 0.0 110.07 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.29 -40.89 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.995 -1.066 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.68 68.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 109.4 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.033 -1.042 . . . . 0.0 109.411 178.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.08 -40.21 92.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.283 -0.886 . . . . 0.0 110.528 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.21 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.526 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.6 -39.92 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -19.0 32.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.766 -0.584 . . . . 0.0 110.212 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.4 m -91.31 -44.81 8.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.857 -1.152 . . . . 0.0 108.931 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.4 127.44 31.77 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.277 -0.889 . . . . 0.0 108.723 179.041 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -79.25 -25.56 42.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.962 -1.086 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.32 -41.36 61.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 110.398 -179.298 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.37 -28.36 34.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.068 -1.02 . . . . 0.0 111.122 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.93 -58.55 3.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.828 -1.17 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -85.69 138.39 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.079 -1.013 . . . . 0.0 109.475 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -76.99 119.1 20.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.055 -1.028 . . . . 0.0 108.56 179.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.47 -148.1 5.95 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -88.11 87.25 7.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 108.993 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.46 -146.4 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.788 . . . . 0.0 109.921 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.74 140.01 47.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.7 -31.52 52.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.071 -1.018 . . . . 0.0 109.659 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.22 -38.05 3.45 Favored Glycine 0 N--CA 1.501 3.016 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 49.97 57.0 7.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.101 -1.235 . . . . 0.0 109.601 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -92.49 12.93 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.317 -0.864 . . . . 0.0 109.909 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.1 t0 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.492 0.663 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -98.65 140.89 32.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.583 -0.698 . . . . 0.0 110.911 -178.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.0 m-20 -59.89 -39.21 84.58 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.515 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 -14.74 0.12 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.181 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' ASP . 46.1 mt -60.03 -34.21 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.409 -1.053 . . . . 0.0 108.487 178.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.94 -39.87 87.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.63 -39.96 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.528 -0.732 . . . . 0.0 109.262 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -37.26 78.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.527 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.95 -42.24 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.061 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -39.97 92.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.76 5.52 51.37 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.13 -0.981 . . . . 0.0 110.489 -178.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -49.35 -39.99 33.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -60.64 -39.95 90.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.947 . . . . 0.0 109.652 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.4 -39.48 87.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.281 -0.887 . . . . 0.0 109.739 -179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -84.55 -16.54 41.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 58.44 -135.36 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.328 -0.858 . . . . 0.0 110.144 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 m -84.87 -0.78 55.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.131 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.54 73.2 8.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 109.926 -179.382 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.93 . . . . 0.0 109.168 179.318 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.13 -40.37 89.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.88 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.72 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.259 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.84 -40.05 93.98 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.505 -0.747 . . . . 0.0 109.667 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.47 -41.74 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 0.0 109.647 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -65.49 -39.74 92.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.463 -179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.05 -40.04 78.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.021 -1.049 . . . . 0.0 110.179 -179.026 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -94.99 -2.27 50.74 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.019 -1.051 . . . . 0.0 109.392 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.3 m-80 51.86 50.01 19.53 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.22 -0.925 . . . . 0.0 110.14 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -117.23 151.6 48.03 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.568 -0.707 . . . . 0.0 109.255 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.82 153.8 42.98 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.032 1.821 . . . . 0.0 112.214 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -42.19 -26.58 0.55 Allowed 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.71 2.273 . . . . 0.0 112.888 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.96 -49.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.976 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -76.74 -41.26 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 110.139 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.09 66.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.515 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.02 -40.01 87.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.3 -0.875 . . . . 0.0 109.477 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.87 -40.7 96.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.43 -40.44 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.0 -39.96 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -17.83 43.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.707 -0.621 . . . . 0.0 110.674 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -96.91 -36.7 10.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.79 -1.194 . . . . 0.0 110.211 -178.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 t -59.13 131.67 51.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.061 -1.024 . . . . 0.0 109.222 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.52 -34.69 63.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.274 -0.891 . . . . 0.0 110.958 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.818 -1.176 . . . . 0.0 110.172 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -87.15 0.31 55.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.087 -1.008 . . . . 0.0 110.068 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -69.85 -60.04 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.564 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.79 147.77 25.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.316 -0.865 . . . . 0.0 109.613 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' C ' ' H ' ' A' ' 48' ' ' GLU . 70.8 mmtt -79.31 168.16 19.91 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.402 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 16.13 0.07 OUTLIER Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.955 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 46' ' ' LYS . 84.9 tt0 -153.4 83.09 1.18 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.697 -1.472 . . . . 0.0 108.922 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.09 -8.71 59.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.373 -0.83 . . . . 0.0 110.508 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.9 ttm -73.27 138.37 45.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.947 -1.095 . . . . 0.0 110.152 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 52' ' ' GLY . 57.2 t-80 -152.85 171.05 18.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.553 -0.717 . . . . 0.0 109.118 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 51' ' ' HIS . . . -47.42 150.81 2.28 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -77.95 147.8 34.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.197 -1.178 . . . . 0.0 110.243 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 2.8 t -96.73 -13.45 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.484 -0.76 . . . . 0.0 108.951 179.502 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 88.0 m-20 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.132 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -98.8 140.74 32.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.567 -0.708 . . . . 0.0 110.913 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.03 -39.0 84.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.5 -14.91 0.12 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.01 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.9 mt -60.01 -34.13 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.997 . . . . 0.0 108.535 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.31 -40.01 92.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.26 79.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.64 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.0 -42.25 93.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.082 -1.011 . . . . 0.0 109.016 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.02 92.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.355 -0.84 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.61 5.54 51.27 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.182 -0.949 . . . . 0.0 110.38 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -49.35 -40.39 35.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.828 -1.17 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.843 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.46 -39.45 87.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.717 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -84.3 -17.03 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.387 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 58.84 -135.13 0.92 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.5 m -85.31 -0.83 55.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.388 -0.82 . . . . 0.0 110.212 -179.151 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.27 73.06 8.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.06 -1.025 . . . . 0.0 109.926 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -28.13 65.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.159 -0.963 . . . . 0.0 109.102 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.31 -40.3 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.26 80.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.261 -0.899 . . . . 0.0 109.162 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.0 ttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.665 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -41.54 85.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 109.656 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -65.88 -39.6 90.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 110.42 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.95 -40.06 79.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.091 -1.006 . . . . 0.0 110.137 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -95.1 -1.93 51.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.248 -0.907 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.6 m-80 51.5 50.05 19.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.171 -0.956 . . . . 0.0 110.203 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 mt -116.94 151.66 47.71 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.602 -0.686 . . . . 0.0 109.29 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.74 153.56 43.23 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.147 1.898 . . . . 0.0 112.206 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.08 -26.44 0.5 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.64 2.227 . . . . 0.0 113.07 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.01 -49.98 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -0.95 . . . . 0.0 109.927 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.84 -41.3 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.109 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.97 67.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.17 -39.83 87.78 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.298 -0.877 . . . . 0.0 109.534 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.07 -40.14 94.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 110.057 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.76 -40.3 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.99 -39.98 84.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.581 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -60.15 -18.24 46.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.652 -0.655 . . . . 0.0 110.581 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -96.41 -36.46 10.82 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.861 -1.149 . . . . 0.0 110.305 -178.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.56 131.67 51.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.956 -1.09 . . . . 0.0 109.152 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -74.36 -34.79 63.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.326 -0.859 . . . . 0.0 111.031 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.0 -40.09 75.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.827 -1.17 . . . . 0.0 110.035 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 45.1 m -87.0 -0.02 55.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.035 -1.041 . . . . 0.0 110.104 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 11.7 tp-100 -69.69 -60.06 2.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.929 -1.107 . . . . 0.0 109.56 -179.52 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.96 147.93 25.54 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.312 -0.867 . . . . 0.0 109.535 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.551 ' C ' ' H ' ' B' ' 48' ' ' GLU . 70.7 mmtt -79.4 168.59 19.28 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.47 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.44 16.0 0.07 OUTLIER Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.968 -179.341 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' B' ' 46' ' ' LYS . 85.0 tt0 -153.37 82.84 1.18 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.752 -1.44 . . . . 0.0 108.948 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.83 59.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.485 -0.759 . . . . 0.0 110.488 -179.299 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.6 ttm -72.75 138.71 46.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.898 -1.126 . . . . 0.0 110.075 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.43 ' CG ' ' N ' ' B' ' 52' ' ' GLY . 56.8 t-80 -153.04 171.3 18.6 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.54 -0.725 . . . . 0.0 109.231 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' B' ' 51' ' ' HIS . . . -47.46 151.17 2.18 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -78.46 147.6 33.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -1.18 . . . . 0.0 110.213 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 2.8 t -96.51 -13.2 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.393 -0.817 . . . . 0.0 109.028 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 87.9 m-20 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.124 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 28' ' ' LEU . 61.2 mt -101.84 143.12 32.13 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.833 0.825 . . . . 0.0 111.294 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 -12.92 0.23 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.7 mt -60.98 -34.86 61.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.263 -1.139 . . . . 0.0 108.576 178.764 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.98 -39.25 85.06 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.02 -38.3 90.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.396 -0.815 . . . . 0.0 108.952 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.49 79.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.366 -0.834 . . . . 0.0 109.967 -179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.08 -40.92 91.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.193 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.46 -39.95 89.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.013 -1.054 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.06 1.49 57.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.175 -0.953 . . . . 0.0 110.698 -178.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.89 -43.13 28.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.843 -1.161 . . . . 0.0 109.691 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.03 -40.03 94.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.96 -39.93 93.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.41 -13.39 49.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.055 -1.028 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.74 -136.17 1.01 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.502 -0.749 . . . . 0.0 110.521 179.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 0.14 52.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.031 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.04 79.54 7.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.07 -25.12 63.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.503 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.36 73.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.231 -0.918 . . . . 0.0 109.152 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -61.34 -45.22 95.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.376 -0.827 . . . . 0.0 109.349 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 109.536 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -66.38 -37.69 85.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.519 -0.738 . . . . 0.0 109.815 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.87 -40.01 75.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.289 -0.882 . . . . 0.0 109.711 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.48 47.22 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.368 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 30.0 m120 51.15 47.66 24.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.241 -0.912 . . . . 0.0 110.34 179.251 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 2' ' ' LEU . 57.5 mt -112.38 131.1 22.76 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.291 -0.881 . . . . 0.0 109.77 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 96.1 Cg_exo -43.8 141.4 4.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.718 1.612 . . . . 0.0 111.931 179.025 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -39.77 -21.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.439 2.093 . . . . 0.0 113.083 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.99 -50.45 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.028 -1.045 . . . . 0.0 110.591 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.7 -41.14 62.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.858 -1.151 . . . . 0.0 110.485 -179.113 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.136 -0.977 . . . . 0.0 109.691 179.046 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.43 -40.41 94.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 110.187 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -40.51 83.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.17 -39.97 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.95 49.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.759 -0.588 . . . . 0.0 109.73 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -90.33 -45.6 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.123 -0.985 . . . . 0.0 108.674 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.98 126.86 29.17 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.82 -28.24 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.58 -42.95 57.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 -178.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.55 -24.37 39.31 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.08 -1.013 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -67.33 -48.77 66.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.829 -1.169 . . . . 0.0 110.214 -178.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' B' ' 45' ' ' LEU . 86.0 mt -88.29 121.36 30.59 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.068 -1.02 . . . . 0.0 109.07 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -79.99 -70.1 0.54 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.214 -0.929 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' H ' ' H ' ' A' ' 48' ' ' GLU . . . 169.93 15.04 0.02 OUTLIER Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' H ' ' H ' ' A' ' 47' ' ' GLY . 46.3 mt-10 -85.5 38.05 0.72 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -1.101 . . . . 0.0 109.344 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.89 164.36 23.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 ttt 59.46 36.29 23.06 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -83.0 158.81 22.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.547 -0.721 . . . . 0.0 109.594 -179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.55 88.96 0.02 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -78.88 146.53 33.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.167 -1.196 . . . . 0.0 109.282 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.22 137.9 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 109.661 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.336 179.973 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.5 mt -101.88 143.13 32.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.783 0.802 . . . . 0.0 111.344 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.5 m-20 -59.97 -37.24 79.01 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -12.91 0.22 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.185 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.5 mt -61.11 -34.75 61.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.375 -1.073 . . . . 0.0 108.556 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.97 -39.32 85.26 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -63.08 -37.92 89.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.491 -0.756 . . . . 0.0 109.01 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.66 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -0.841 . . . . 0.0 109.96 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.99 -40.94 90.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.162 -0.961 . . . . 0.0 110.214 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.5 -39.95 89.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.051 -1.031 . . . . 0.0 109.907 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.91 1.37 57.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.172 -0.955 . . . . 0.0 110.682 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.77 -43.17 27.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.825 -1.172 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.0 -40.05 94.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.897 . . . . 0.0 110.27 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.93 -40.01 94.02 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.059 -1.025 . . . . 0.0 110.021 -179.161 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.53 -13.06 50.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.01 -1.056 . . . . 0.0 109.778 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 57.6 -136.34 1.01 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.413 -0.804 . . . . 0.0 110.53 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 t -84.91 0.06 52.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.364 -0.835 . . . . 0.0 110.119 -179.04 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.07 79.64 7.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.998 -1.064 . . . . 0.0 109.31 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.1 -25.15 63.37 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.408 -0.808 . . . . 0.0 109.473 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.88 -42.08 93.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.855 . . . . 0.0 110.013 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 109.106 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.373 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 109.577 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -66.31 -37.96 86.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.739 . . . . 0.0 109.823 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.56 -39.99 77.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 0.0 109.798 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.44 47.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.217 -0.927 . . . . 0.0 109.363 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 51.09 47.72 24.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 179.374 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.39 131.16 22.73 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.407 -0.808 . . . . 0.0 109.783 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 31' ' ' VAL . 94.2 Cg_exo -43.88 141.27 4.36 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.791 1.661 . . . . 0.0 111.989 178.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.75 -21.62 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.409 2.073 . . . . 0.0 113.31 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.0 -50.11 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.955 -1.091 . . . . 0.0 110.562 -178.7 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.02 -41.49 59.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.002 -1.061 . . . . 0.0 110.487 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.02 71.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -39.98 87.44 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.17 -0.956 . . . . 0.0 109.757 178.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.42 -40.58 94.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 110.31 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.1 -40.46 83.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.14 -39.92 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 177.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.24 51.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.688 -0.632 . . . . 0.0 109.709 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -89.68 -45.91 9.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.047 -1.033 . . . . 0.0 108.647 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.82 126.94 29.53 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.87 -28.2 44.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 110.778 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.55 -42.86 58.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 110.833 -178.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -80.75 -24.28 38.8 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.973 -1.08 . . . . 0.0 111.032 -178.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.5 -48.57 66.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.896 -1.128 . . . . 0.0 110.231 -178.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 86.9 mt -88.37 121.36 30.67 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 108.964 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -80.04 -69.95 0.55 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' B' ' 48' ' ' GLU . . . 169.97 14.62 0.02 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.404 ' H ' ' H ' ' B' ' 47' ' ' GLY . 46.3 mt-10 -85.31 38.12 0.71 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -1.094 . . . . 0.0 109.41 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.9 164.36 23.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.433 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.2 ttt 59.55 35.82 22.73 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -82.27 158.91 23.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.565 -0.709 . . . . 0.0 109.642 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.45 88.9 0.02 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -78.81 146.53 33.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -1.109 . . . . 0.0 109.257 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.3 137.88 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.355 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.14 140.5 33.21 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.919 0.866 . . . . 0.0 111.256 -178.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' A' ' 5' ' ' ILE . 57.8 t0 -59.89 -38.39 82.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 -12.39 0.39 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -60.36 -34.0 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.278 -1.131 . . . . 0.0 108.2 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.05 -38.16 81.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 109.025 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.63 -39.65 94.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.389 -0.82 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.93 82.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.248 -0.908 . . . . 0.0 109.386 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.99 -41.51 92.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.163 -0.96 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.72 -40.0 95.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.83 7.85 45.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.902 . . . . 0.0 110.357 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -48.87 -41.63 33.92 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.906 -1.122 . . . . 0.0 108.964 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -34.74 74.41 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.609 -0.682 . . . . 0.0 109.358 179.431 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.073 -1.017 . . . . 0.0 110.289 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.43 -17.31 29.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.027 -1.046 . . . . 0.0 109.76 -179.511 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.57 -126.74 1.71 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.597 -0.689 . . . . 0.0 110.384 179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 m -88.43 -0.32 57.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.094 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.78 72.42 7.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.922 -1.111 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -69.92 -27.38 64.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.231 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.92 -44.49 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.0 109.792 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.03 84.31 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.996 -1.065 . . . . 0.0 108.467 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -61.44 -47.84 83.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.065 178.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.71 -40.12 86.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.246 -0.909 . . . . 0.0 109.057 179.692 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -68.29 -32.09 72.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.499 -0.751 . . . . 0.0 109.303 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.89 -41.81 74.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 108.716 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -95.06 -2.03 50.97 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.7 m120 52.82 42.2 31.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.301 179.334 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.26 126.63 28.84 Favored Pre-proline 0 N--CA 1.504 2.272 0 O-C-N 121.217 -0.927 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.49 153.63 1.14 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.715 1.61 . . . . 0.0 112.252 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.38 -21.9 0.5 Allowed 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.505 2.137 . . . . 0.0 113.606 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.0 -59.52 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.832 -1.167 . . . . 0.0 109.933 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.5 t -69.96 -41.47 79.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.307 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.045 -1.034 . . . . 0.0 109.509 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.17 -39.97 88.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 108.785 179.239 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.64 -41.28 97.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.476 -0.765 . . . . 0.0 110.437 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.12 -41.56 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.948 -1.095 . . . . 0.0 108.111 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.36 -40.09 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.75 57.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.66 -0.65 . . . . 0.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -93.73 -39.56 10.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.884 -1.135 . . . . 0.0 109.832 -179.064 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.1 132.75 54.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.026 -1.046 . . . . 0.0 108.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -75.87 -35.56 59.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.334 -0.854 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.81 -40.07 76.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.917 -1.114 . . . . 0.0 109.911 -178.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.2 m -85.41 -2.78 58.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.045 . . . . 0.0 110.059 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -65.7 -50.2 65.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.986 -179.366 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -84.09 154.23 23.31 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.122 -0.987 . . . . 0.0 109.0 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -77.33 -13.73 59.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 109.502 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.52 -138.09 6.23 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -85.33 111.39 19.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.317 -1.107 . . . . 0.0 109.477 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.34 57.21 2.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.373 -0.83 . . . . 0.0 109.96 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -161.03 2.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.109 -0.995 . . . . 0.0 108.803 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -153.83 150.72 28.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.489 -0.757 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.73 30.3 0.07 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.71 131.5 36.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.569 -0.959 . . . . 0.0 109.276 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -96.15 135.25 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.301 -0.875 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 21.7 p-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.083 -0.961 . . . . 0.0 109.105 179.759 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.41 140.27 33.85 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.916 0.865 . . . . 0.0 111.175 -178.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.489 ' C ' ' N ' ' B' ' 5' ' ' ILE . 57.8 t0 -59.97 -38.29 82.07 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.074 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.44 -12.42 0.34 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.009 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.489 ' N ' ' C ' ' B' ' 3' ' ' ASP . 50.1 mt -60.32 -34.25 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -1.171 . . . . 0.0 108.179 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.84 -38.31 81.7 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.405 -0.809 . . . . 0.0 108.984 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -62.41 -39.92 94.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.412 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.06 82.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.225 -0.922 . . . . 0.0 109.47 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.13 -41.2 92.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.069 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.82 -40.02 96.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.414 -0.804 . . . . 0.0 110.217 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.93 7.89 45.55 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.23 -0.919 . . . . 0.0 110.329 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.0 -41.43 34.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.846 -1.159 . . . . 0.0 108.929 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.76 -34.47 74.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.56 -0.712 . . . . 0.0 109.376 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.45 -39.93 95.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.28 -16.98 29.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.009 -1.057 . . . . 0.0 109.696 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.3 -127.01 1.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.6 -0.687 . . . . 0.0 110.388 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -88.05 -0.42 57.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -80.69 72.53 7.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.902 -1.124 . . . . 0.0 109.357 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -70.0 -27.26 64.55 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -44.52 94.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.741 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.85 85.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.036 -1.04 . . . . 0.0 108.527 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.78 -47.83 83.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.799 . . . . 0.0 109.016 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -40.28 86.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.885 . . . . 0.0 109.079 179.576 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -68.26 -32.02 71.9 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.381 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.88 -41.91 74.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.147 -0.971 . . . . 0.0 108.683 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -94.94 -2.18 51.03 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.5 m120 53.01 42.23 32.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.25 126.45 29.22 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.232 -0.918 . . . . 0.0 109.948 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.37 153.5 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.799 1.666 . . . . 0.0 112.228 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.32 -22.0 0.5 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.487 2.125 . . . . 0.0 113.496 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.75 -59.47 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.95 -1.093 . . . . 0.0 109.966 -178.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.04 -41.45 79.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.453 -0.779 . . . . 0.0 110.274 -179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.43 73.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.016 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.22 -39.93 88.36 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.324 -0.86 . . . . 0.0 108.822 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.9 -41.3 97.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.369 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.23 -41.47 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.948 -1.095 . . . . 0.0 108.119 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.35 -40.01 85.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.42 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.76 -17.73 57.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.648 -0.658 . . . . 0.0 110.325 179.639 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -93.86 -39.82 10.5 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.056 -1.028 . . . . 0.0 109.791 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -59.95 132.73 54.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 108.986 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.76 -35.48 60.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.258 -0.901 . . . . 0.0 111.258 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -40.07 76.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.922 -1.111 . . . . 0.0 109.902 -178.605 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 34.5 m -85.53 -2.94 58.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.979 -1.076 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.0 tp-100 -65.49 -50.4 65.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.002 -1.061 . . . . 0.0 109.979 -179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -84.04 154.15 23.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.054 -1.029 . . . . 0.0 109.013 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -77.16 -13.93 59.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.217 -0.927 . . . . 0.0 109.515 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.72 -137.91 6.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.41 111.19 19.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.253 -1.145 . . . . 0.0 109.554 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.27 56.95 2.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.383 -0.823 . . . . 0.0 109.918 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -160.71 2.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 108.863 179.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -153.67 150.75 28.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.68 30.44 0.07 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -78.83 131.45 36.49 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.52 -0.988 . . . . 0.0 109.337 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -96.18 135.15 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -0.863 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 21.6 p-10 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.487 0.661 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.85 142.74 33.86 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.41 0.624 . . . . 0.0 110.257 -179.495 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.07 -38.33 82.52 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.161 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.02 -13.42 0.32 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.01 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' ASP . 50.1 mt -60.83 -40.21 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -1.133 . . . . 0.0 108.552 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.1 -39.92 87.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.049 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.74 -39.11 93.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.19 76.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.773 . . . . 0.0 109.628 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.98 -40.55 89.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.018 -1.051 . . . . 0.0 108.896 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.03 -40.03 94.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 110.071 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.81 5.96 49.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -178.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.04 -44.21 41.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.856 -1.153 . . . . 0.0 109.313 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.78 -36.22 82.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.0 109.995 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.01 -14.78 46.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 58.73 -132.04 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 109.741 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -86.86 -0.56 56.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.285 -0.884 . . . . 0.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.95 78.32 6.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.95 -1.094 . . . . 0.0 109.443 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CZ2' ' NE ' ' A' ' 20' ' ' ARG . 64.3 p-90 -71.28 -20.96 62.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.171 -0.956 . . . . 0.0 109.34 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' NE ' ' CZ2' ' A' ' 19' ' ' TRP . 28.5 mmt180 -61.37 -40.1 93.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.188 -0.945 . . . . 0.0 109.618 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.95 93.98 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.321 -0.862 . . . . 0.0 108.988 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -59.92 -50.0 75.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.366 -0.834 . . . . 0.0 109.252 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.056 -1.028 . . . . 0.0 108.875 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -67.03 -37.23 83.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.716 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -69.99 -46.4 65.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.877 . . . . 0.0 109.928 -179.302 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.9 -0.82 50.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.366 -0.834 . . . . 0.0 109.882 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' ALA . 67.8 m-20 52.17 49.17 21.17 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.226 -0.921 . . . . 0.0 110.612 179.2 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.93 151.77 49.29 Favored Pre-proline 0 N--CA 1.507 2.416 0 O-C-N 121.25 -0.907 . . . . 0.0 110.163 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.43 159.55 10.48 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.704 1.603 . . . . 0.0 110.606 177.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.83 -19.8 40.8 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.392 2.061 . . . . 0.0 112.134 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.03 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.189 -0.944 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.44 -44.71 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.826 -1.171 . . . . 0.0 110.581 -178.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.73 -50.46 72.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.795 -1.19 . . . . 0.0 109.704 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.49 -39.97 89.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 110.267 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -42.38 94.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.234 -0.916 . . . . 0.0 110.2 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.88 -47.5 92.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 108.938 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.83 -45.52 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.076 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 110.299 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 m -96.06 -20.98 18.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.919 -1.113 . . . . 0.0 110.246 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.37 139.92 56.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.932 -1.105 . . . . 0.0 108.739 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.77 -39.92 66.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.245 -0.909 . . . . 0.0 111.053 -178.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -70.06 -40.02 75.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.919 -1.113 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.4 7.29 17.19 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.758 -1.214 . . . . 0.0 109.378 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -75.17 -67.64 0.63 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.342 -0.849 . . . . 0.0 109.898 -179.209 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.81 132.19 33.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.95 -11.4 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 109.125 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.07 -172.92 35.87 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -85.08 118.88 24.9 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -1.173 . . . . 0.0 108.913 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.03 94.53 5.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.271 -0.893 . . . . 0.0 110.217 -179.421 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.3 ptm -82.53 -102.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.031 -1.043 . . . . 0.0 109.138 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -149.68 156.42 41.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.303 -0.873 . . . . 0.0 109.045 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.92 135.95 2.13 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -159.25 122.44 3.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -1.231 . . . . 0.0 109.969 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.63 128.37 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.419 -0.801 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.358 179.915 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.548 0.689 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.82 142.81 33.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.628 -0.67 . . . . 0.0 110.243 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.4 m-20 -59.97 -38.44 82.54 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.114 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -13.24 0.33 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.9 mt -60.79 -40.27 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -1.141 . . . . 0.0 108.54 178.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -40.06 88.22 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.62 -39.1 92.73 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.1 76.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.408 -0.807 . . . . 0.0 109.573 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -40.5 89.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.046 -1.034 . . . . 0.0 108.926 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.0 -40.11 94.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.375 -0.828 . . . . 0.0 110.013 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.69 5.93 50.02 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.253 -0.904 . . . . 0.0 110.609 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.13 -44.23 42.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -36.19 82.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -178.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.97 -14.87 46.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.972 -1.08 . . . . 0.0 109.531 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 58.73 -131.98 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.845 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -86.85 -0.63 56.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 110.058 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.0 78.53 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 109.421 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.515 ' CZ2' ' NE ' ' B' ' 20' ' ' ARG . 64.4 p-90 -71.42 -20.79 62.07 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.323 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NE ' ' CZ2' ' B' ' 19' ' ' TRP . 28.5 mmt180 -61.44 -40.17 93.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.925 . . . . 0.0 109.561 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.01 94.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -60.06 -49.93 75.71 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.401 -0.812 . . . . 0.0 109.24 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.55 -39.97 85.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.112 -0.992 . . . . 0.0 108.697 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.9 t -66.86 -37.36 84.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.726 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -70.0 -46.56 64.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 110.018 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.65 -0.9 51.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.372 -0.83 . . . . 0.0 109.887 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' B' ' 23' ' ' ALA . 68.0 m-20 52.11 49.44 20.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.168 -0.958 . . . . 0.0 110.486 179.167 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -118.07 151.73 49.44 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.32 -0.862 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.43 159.54 10.49 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.631 1.554 . . . . 0.0 110.63 177.578 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.66 -19.96 40.12 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.331 2.021 . . . . 0.0 112.137 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -50.1 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.97 -179.294 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.41 -44.53 71.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.739 -1.226 . . . . 0.0 110.567 -178.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.65 71.6 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.797 -1.189 . . . . 0.0 109.681 -179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.34 -39.95 88.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 0.0 110.271 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.01 -42.45 94.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.231 -0.918 . . . . 0.0 110.053 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -61.8 -47.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.179 -0.951 . . . . 0.0 108.985 -179.68 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.95 -45.4 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.181 -0.949 . . . . 0.0 109.009 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -63.25 -26.4 68.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.624 -0.673 . . . . 0.0 110.249 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -96.12 -20.96 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.988 -1.07 . . . . 0.0 110.28 -179.234 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.31 139.89 56.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.889 -1.132 . . . . 0.0 108.763 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.66 -40.04 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.189 -0.944 . . . . 0.0 111.071 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.959 -1.088 . . . . 0.0 110.908 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -83.43 6.96 18.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 109.293 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -74.98 -67.17 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.164 -0.96 . . . . 0.0 109.938 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -87.08 132.17 33.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 109.363 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -80.08 -11.35 59.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.96 -1.088 . . . . 0.0 109.091 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.95 -173.11 35.81 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -85.03 119.15 25.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -1.185 . . . . 0.0 108.837 179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.16 94.62 5.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.927 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ptm -82.73 -101.39 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.989 -1.069 . . . . 0.0 109.259 179.456 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -149.97 156.5 41.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.22 -0.925 . . . . 0.0 108.951 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.91 135.9 2.13 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -159.2 122.65 3.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.267 . . . . 0.0 109.876 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.78 128.45 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.376 -0.827 . . . . 0.0 109.233 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.436 179.911 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.35 143.12 30.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.415 -0.803 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.12 -39.96 88.1 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.007 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.59 -10.88 0.42 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.4 mt -60.16 -38.61 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -1.153 . . . . 0.0 108.805 178.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.5 -38.91 85.85 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.405 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.45 76.81 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.472 -0.768 . . . . 0.0 110.233 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.93 -42.99 95.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.942 -1.099 . . . . 0.0 109.13 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.89 -38.73 89.43 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.502 -0.749 . . . . 0.0 109.914 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.55 5.74 50.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 110.726 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.31 -42.4 41.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 109.079 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.85 -36.93 80.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.395 -0.816 . . . . 0.0 110.024 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.882 . . . . 0.0 110.1 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -87.96 -12.35 44.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.912 -1.117 . . . . 0.0 108.656 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 58.49 -137.33 0.86 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.407 0.622 . . . . 0.0 110.442 179.134 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.3 p -81.3 -8.61 59.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.398 -0.814 . . . . 0.0 110.123 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.67 76.3 6.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 109.527 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -70.25 -23.31 62.88 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.243 -0.911 . . . . 0.0 109.334 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.38 -41.29 93.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.049 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.34 89.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.024 -1.047 . . . . 0.0 108.481 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.5 ttp -62.94 -45.32 93.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.418 -0.801 . . . . 0.0 109.303 179.258 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.44 -39.97 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.997 -1.064 . . . . 0.0 109.124 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 t -68.34 -35.73 78.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -0.763 . . . . 0.0 109.692 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -69.4 -42.95 74.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.325 -0.86 . . . . 0.0 109.706 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.61 -0.4 54.5 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.513 -0.742 . . . . 0.0 109.461 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ALA . 97.9 m-20 52.39 49.94 19.4 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.247 -0.908 . . . . 0.0 110.495 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 mt -120.93 151.47 54.95 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.45 161.26 46.65 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.338 2.025 . . . . 0.0 111.89 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.0 -24.52 25.06 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.857 2.371 . . . . 0.0 112.45 -179.651 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.99 -50.03 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.969 -1.082 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.0 -43.6 51.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.054 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.51 69.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.895 . . . . 0.0 109.716 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.01 -40.08 88.02 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.695 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.94 -40.09 91.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.66 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.21 -42.82 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 108.175 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.21 -39.69 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.345 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.62 60.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.793 -0.567 . . . . 0.0 110.609 -179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -95.13 -27.44 15.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.978 -1.076 . . . . 0.0 110.15 -178.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -60.1 139.9 57.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.97 -1.081 . . . . 0.0 108.586 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.49 -33.78 54.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.009 -1.057 . . . . 0.0 110.105 -179.304 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.52 -40.0 70.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 0.0 110.929 -178.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.4 m -81.26 -9.68 59.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.907 -1.121 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -68.96 -59.99 2.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.958 -1.089 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.64 163.45 14.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.129 -0.982 . . . . 0.0 108.868 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.82 -9.88 59.71 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.213 -0.929 . . . . 0.0 108.942 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.34 -34.82 3.86 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 50' ' ' MET . 68.0 mm-40 -79.88 -40.0 29.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -1.134 . . . . 0.0 109.517 179.74 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.76 -83.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.036 0.446 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.617 ' N ' ' O ' ' A' ' 48' ' ' GLU . 45.6 ttm -75.55 126.41 30.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.113 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 54' ' ' VAL . 12.1 t60 -158.11 151.74 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 0.0 108.721 179.17 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.7 68.96 0.25 Allowed Glycine 0 N--CA 1.495 2.585 0 C-N-CA 119.468 -1.348 . . . . 0.0 110.427 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -161.28 -57.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -1.157 . . . . 0.0 109.484 179.293 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG12 ' NE2' ' A' ' 51' ' ' HIS . 12.8 p -96.03 -18.73 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.913 -1.042 . . . . 0.0 109.518 179.804 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -100.74 142.79 31.73 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.12 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.8 m-20 -60.02 -39.86 87.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.151 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 -11.29 0.41 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.447 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.3 mt -59.99 -38.63 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -1.133 . . . . 0.0 108.736 179.106 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.013 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -60.66 -38.67 85.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.55 77.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.504 -0.748 . . . . 0.0 110.25 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.98 -43.11 95.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.915 -1.116 . . . . 0.0 109.026 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.78 -38.36 87.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.99 6.36 48.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.281 -0.887 . . . . 0.0 110.765 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -49.69 -42.35 45.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.819 -1.176 . . . . 0.0 109.132 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.0 -36.81 80.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.922 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 0.0 110.158 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.88 -12.48 44.68 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 108.715 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 58.66 -137.31 0.85 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.684 -0.635 . . . . 0.0 110.377 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.4 p -81.48 -8.47 59.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.75 76.14 6.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.607 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -70.24 -22.96 62.84 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.61 -41.05 93.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.881 . . . . 0.0 109.957 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.19 88.41 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.431 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.15 -45.27 92.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.387 -0.821 . . . . 0.0 109.194 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.28 -40.17 77.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.04 -1.038 . . . . 0.0 109.196 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.32 -35.54 77.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.798 . . . . 0.0 109.645 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -69.39 -43.05 74.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.74 -0.15 54.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.566 -0.709 . . . . 0.0 109.532 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.9 m-20 52.14 50.01 19.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.924 . . . . 0.0 110.401 179.212 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -120.97 151.28 54.79 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.22 160.97 47.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.397 2.064 . . . . 0.0 111.91 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.88 -24.47 24.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.802 2.335 . . . . 0.0 112.499 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.93 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.921 -1.112 . . . . 0.0 109.428 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.1 -43.79 50.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.49 69.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.237 -0.914 . . . . 0.0 109.694 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.93 -40.02 87.47 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.793 179.108 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.13 -40.03 92.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 109.661 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.87 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.127 . . . . 0.0 108.129 179.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.49 -39.45 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.414 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -21.44 61.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.796 -0.565 . . . . 0.0 110.574 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -95.35 -27.46 15.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.865 -1.147 . . . . 0.0 110.165 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -60.03 139.79 57.23 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.991 -1.068 . . . . 0.0 108.54 179.387 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -77.44 -33.76 54.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 0.0 110.178 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.48 -40.1 70.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.0 m -81.1 -9.46 59.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.932 -1.105 . . . . 0.0 110.555 -179.33 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.14 -60.16 2.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.831 -1.168 . . . . 0.0 109.397 -179.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.45 163.14 14.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 108.862 178.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -79.32 -10.02 59.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.238 -0.914 . . . . 0.0 109.055 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.15 -34.39 3.97 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' B' ' 50' ' ' MET . 67.8 mm-40 -80.37 -39.98 27.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.434 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.75 -84.18 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 122.045 -0.409 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.616 ' N ' ' O ' ' B' ' 48' ' ' GLU . 45.7 ttm -75.12 126.9 31.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.079 -1.013 . . . . 0.0 110.086 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' B' ' 54' ' ' VAL . 12.0 t60 -158.53 151.46 22.43 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.73 68.91 0.25 Allowed Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.452 -1.356 . . . . 0.0 110.33 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -161.09 -57.17 0.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.268 -1.137 . . . . 0.0 109.425 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.441 HG12 ' NE2' ' B' ' 51' ' ' HIS . 12.8 p -96.08 -18.21 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 -179.827 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.065 -1.022 . . . . 0.0 109.383 179.841 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.18 138.25 36.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.772 . . . . 0.0 111.054 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 85.1 m-20 -59.92 -39.05 84.13 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.64 -11.73 0.17 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.4 mt -60.0 -32.28 49.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.426 -1.043 . . . . 0.0 108.343 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.84 -39.36 84.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.87 -39.7 95.24 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -38.71 82.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -42.14 93.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.916 -1.115 . . . . 0.0 109.208 -179.369 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.39 -40.03 89.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.407 -0.808 . . . . 0.0 110.13 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.24 0.86 57.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.885 . . . . 0.0 110.106 -178.62 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -49.67 -43.32 47.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 109.144 179.564 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.49 -40.06 89.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.427 -0.796 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 53.8 tptt -61.11 -39.91 91.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.888 . . . . 0.0 109.842 -179.103 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -87.31 -13.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.867 -1.146 . . . . 0.0 109.029 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 26.8 m80 58.99 -138.5 0.77 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.503 -0.748 . . . . 0.0 110.298 179.197 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -82.12 -3.79 55.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 110.395 -179.171 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.09 76.97 5.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.799 -1.188 . . . . 0.0 109.217 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.69 -26.08 63.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.382 -0.824 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.12 -41.23 92.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -0.854 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.65 80.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.311 -0.868 . . . . 0.0 109.262 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.9 ttp -61.68 -41.51 97.65 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 0.0 109.601 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.07 82.58 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.076 . . . . 0.0 109.424 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.0 m -65.17 -40.1 93.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.404 -0.81 . . . . 0.0 110.282 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.09 -39.91 75.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.068 -1.02 . . . . 0.0 110.918 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -94.46 -0.55 54.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 51.6 50.04 19.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.444 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.13 151.71 45.96 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.496 -0.752 . . . . 0.0 109.342 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.3 Cg_endo -73.34 149.04 44.46 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.82 1.68 . . . . 0.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.96 -22.91 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.114 1.876 . . . . 0.0 112.61 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.26 -54.87 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.077 -1.015 . . . . 0.0 110.188 -179.322 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.86 -41.16 61.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.025 -1.047 . . . . 0.0 110.058 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.69 68.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.095 -1.003 . . . . 0.0 109.467 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -60.26 -39.85 88.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.147 -0.97 . . . . 0.0 109.261 178.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.13 -39.99 94.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 0.0 110.346 -179.282 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.43 -40.02 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 179.68 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.62 -40.12 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 -16.69 39.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.839 -0.538 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -95.7 -38.26 10.43 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.012 -1.055 . . . . 0.0 109.974 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.55 135.37 57.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.083 -1.011 . . . . 0.0 109.02 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -78.17 -36.02 48.07 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.15 -0.969 . . . . 0.0 110.886 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -70.11 -40.13 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.151 -0.968 . . . . 0.0 110.891 -178.166 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.99 -8.44 59.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.905 -1.122 . . . . 0.0 109.924 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.531 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 54.0 tp60 -69.16 -59.86 2.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.643 -179.305 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.02 153.17 22.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.474 -0.766 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -77.82 -8.48 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.219 -0.926 . . . . 0.0 108.799 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.92 -29.41 9.33 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.315 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 50' ' ' MET . 20.6 pt-20 -84.03 -0.59 52.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.984 -1.303 . . . . 0.0 109.12 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.01 -89.91 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 121.204 0.526 . . . . 0.0 110.367 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tpt -82.06 -76.0 0.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.503 -0.748 . . . . 0.0 109.11 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -156.64 42.37 0.36 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 0.0 110.225 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.31 -154.92 52.9 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.585 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.34 129.32 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.139 -1.212 . . . . 0.0 109.3 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 m -99.65 136.92 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.353 -0.842 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.392 -179.762 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.5 mt -99.16 138.16 36.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.53 -0.731 . . . . 0.0 110.976 -178.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 85.1 m-20 -60.11 -38.78 84.0 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.533 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.88 -11.63 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.191 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.9 mt -60.02 -32.08 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.34 -1.094 . . . . 0.0 108.361 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.95 -39.2 84.75 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.661 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.91 -39.89 95.92 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.12 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.81 81.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.407 -0.808 . . . . 0.0 110.265 -179.414 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.04 -42.2 93.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.034 -1.041 . . . . 0.0 109.192 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.47 -40.01 89.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -0.765 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.14 0.81 56.98 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.21 -0.931 . . . . 0.0 110.185 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -49.62 -43.32 46.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 109.168 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -60.53 -40.07 90.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.556 -0.715 . . . . 0.0 109.554 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 53.8 tptt -60.75 -40.18 91.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.377 -0.827 . . . . 0.0 109.771 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -87.21 -13.57 43.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.897 -1.127 . . . . 0.0 109.005 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 27.0 m80 59.24 -138.2 0.76 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.561 -0.712 . . . . 0.0 110.437 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 t -82.43 -3.81 56.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.281 -179.165 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.0 77.05 5.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.915 -1.116 . . . . 0.0 109.203 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.75 -26.44 63.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.417 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -41.08 91.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -45.89 79.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.211 -0.93 . . . . 0.0 109.121 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -61.57 -41.59 97.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.372 -0.83 . . . . 0.0 109.606 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.032 -1.043 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -65.2 -40.01 93.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.343 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.0 -40.25 75.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.736 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.37 -0.23 55.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.003 -1.061 . . . . 0.0 109.443 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 51.33 50.2 19.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 0.0 110.385 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -115.09 151.67 45.88 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.485 -0.759 . . . . 0.0 109.312 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 60.1 Cg_endo -73.33 149.03 44.48 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.88 1.72 . . . . 0.0 110.966 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.98 -22.64 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.96 1.773 . . . . 0.0 112.612 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -59.7 -54.89 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.943 -1.098 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.72 -40.84 61.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.84 -1.163 . . . . 0.0 110.002 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.78 68.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.086 -1.009 . . . . 0.0 109.433 -179.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 109.408 178.732 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -61.96 -39.96 93.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.92 . . . . 0.0 110.341 -179.307 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.36 -40.16 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.64 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HA ' HE22 ' B' ' 44' ' ' GLN . . . -60.5 -16.6 38.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.78 -0.575 . . . . 0.0 110.323 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -95.75 -38.36 10.37 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.013 -1.055 . . . . 0.0 109.885 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -60.47 135.31 57.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.102 -0.999 . . . . 0.0 109.21 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.23 -35.85 47.84 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.18 -0.95 . . . . 0.0 110.837 -179.234 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.26 -40.1 74.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.16 -0.963 . . . . 0.0 110.891 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -81.91 -8.46 59.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.865 -1.147 . . . . 0.0 109.927 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.531 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 9.4 tp-100 -69.14 -59.45 3.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -1.0 . . . . 0.0 109.699 -179.355 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.23 153.22 22.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.37 -0.831 . . . . 0.0 109.46 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -78.02 -8.08 57.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 108.792 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.52 -29.44 9.03 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.343 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 50' ' ' MET . 20.7 pt-20 -84.05 -0.61 52.45 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.354 . . . . 0.0 109.153 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 37.99 -90.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.306 0.574 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.554 ' N ' ' O ' ' B' ' 48' ' ' GLU . 1.3 tpt -81.83 -76.01 0.27 Allowed 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.368 -0.833 . . . . 0.0 109.346 179.41 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -156.7 42.45 0.36 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.369 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.17 -154.92 52.85 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.21 129.63 34.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.372 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.77 136.79 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.338 -0.851 . . . . 0.0 109.31 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.501 -179.743 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.6 141.58 35.18 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.688 0.756 . . . . 0.0 111.297 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.5 m-20 -60.09 -39.98 88.02 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.703 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.28 -13.17 0.22 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.1 mt -60.01 -35.54 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.36 -1.082 . . . . 0.0 108.403 178.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.93 -38.06 81.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.86 -40.11 94.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.289 -0.882 . . . . 0.0 108.985 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.47 78.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.427 -0.796 . . . . 0.0 109.757 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.03 -40.83 90.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.965 . . . . 0.0 109.575 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.96 89.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.987 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -98.22 9.81 42.08 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.21 -0.931 . . . . 0.0 110.439 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.56 -42.29 33.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.795 -1.191 . . . . 0.0 109.695 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 77.9 mm-40 -60.92 -35.49 76.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 0.0 109.731 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -60.09 -37.52 80.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.165 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.55 31.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.86 -1.15 . . . . 0.0 109.687 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 75.8 m-70 58.06 -134.07 1.1 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.345 -0.847 . . . . 0.0 110.012 179.563 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -82.4 -7.1 59.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.334 -0.854 . . . . 0.0 110.053 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 109.323 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -69.95 -25.1 63.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 0.0 109.473 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.19 89.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.268 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.87 89.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 109.017 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.9 ttp -60.61 -44.01 96.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.658 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.97 -40.58 89.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 109.448 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -66.65 -37.82 85.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.82 -42.84 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.52 -179.021 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -94.77 -2.49 50.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.49 -0.757 . . . . 0.0 109.307 179.548 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.6 m120 52.55 49.98 19.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.843 . . . . 0.0 110.636 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.06 152.49 50.44 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.501 -0.75 . . . . 0.0 109.196 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.85 160.98 47.68 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.316 2.01 . . . . 0.0 111.5 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.29 -21.5 29.26 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.476 2.117 . . . . 0.0 111.768 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 109.63 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.8 t -75.15 -44.27 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 110.271 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.98 83.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.46 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.98 -39.89 87.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.021 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.04 -40.02 96.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.45 -0.781 . . . . 0.0 110.199 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.12 -41.53 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.945 -1.097 . . . . 0.0 108.061 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.37 -40.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 177.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.61 51.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.615 -0.678 . . . . 0.0 109.511 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -87.02 -48.14 8.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.18 -0.95 . . . . 0.0 108.943 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.1 129.17 40.84 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.3 -30.5 48.4 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.13 -43.26 64.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.127 -0.983 . . . . 0.0 110.999 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.46 -22.62 43.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.731 -1.231 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -67.95 -49.48 61.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.847 -1.158 . . . . 0.0 110.041 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -85.92 143.68 28.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.159 -0.963 . . . . 0.0 109.043 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.11 104.48 14.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.068 -1.02 . . . . 0.0 110.047 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.98 -121.45 3.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -80.36 -165.26 0.83 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.412 -1.052 . . . . 0.0 108.997 179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.85 57.45 0.31 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.077 -1.014 . . . . 0.0 110.052 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 99.59 1.38 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 178.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -86.54 146.95 26.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.326 -0.859 . . . . 0.0 110.311 -179.223 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.34 11.24 18.15 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -148.22 135.5 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.409 -1.054 . . . . 0.0 109.087 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 54' ' ' VAL . 12.1 p -94.28 123.38 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.237 -0.914 . . . . 0.0 109.439 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 82.3 m-20 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.128 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.66 141.57 35.26 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.79 0.805 . . . . 0.0 111.247 -178.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.5 m-20 -60.07 -40.01 87.99 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.694 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.37 -13.2 0.23 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.0 mt -59.92 -35.6 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.363 -1.08 . . . . 0.0 108.307 178.868 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.84 -38.11 81.13 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.81 -40.14 94.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 0.0 109.013 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.36 78.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.01 -41.12 91.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.24 -39.93 88.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -98.33 9.83 42.13 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.295 -0.878 . . . . 0.0 110.433 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.52 -42.16 32.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.779 -1.2 . . . . 0.0 109.728 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 77.8 mm-40 -61.12 -35.29 76.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.22 -37.52 80.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 0.0 110.219 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.5 31.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.896 -1.127 . . . . 0.0 109.62 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 75.7 m-70 58.11 -134.05 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.235 -0.915 . . . . 0.0 109.97 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 t -82.37 -7.12 59.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.019 -1.051 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.02 -25.04 63.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -40.05 89.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 110.271 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.79 89.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 109.058 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.1 ttp -60.65 -44.02 96.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.429 -0.794 . . . . 0.0 109.674 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -40.54 89.54 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.097 -1.002 . . . . 0.0 109.358 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -66.72 -37.79 85.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.865 . . . . 0.0 110.185 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.84 -42.81 76.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 109.508 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -94.81 -2.6 50.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.309 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.5 m120 52.62 50.03 19.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.55 179.214 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.96 152.53 50.34 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.451 -0.781 . . . . 0.0 109.205 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.94 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 122.377 2.051 . . . . 0.0 111.439 179.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.13 -21.67 28.71 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.464 2.11 . . . . 0.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.76 -50.02 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 109.541 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.23 -44.42 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 0.0 110.287 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.75 84.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.019 . . . . 0.0 109.561 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.11 -39.95 87.97 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.154 -0.966 . . . . 0.0 108.957 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.05 -39.98 96.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.1 -41.64 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 108.017 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.36 -40.04 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.46 -19.76 50.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 0.0 109.592 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -87.08 -48.19 8.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -0.926 . . . . 0.0 108.993 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.06 129.0 40.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.2 -30.44 48.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.048 -1.032 . . . . 0.0 110.064 -179.157 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -72.28 -43.19 64.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 111.053 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -79.4 -22.62 44.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.832 -1.168 . . . . 0.0 110.645 -179.261 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -68.15 -49.26 62.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.863 -1.148 . . . . 0.0 110.089 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.86 143.69 28.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.12 104.58 14.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.116 -0.99 . . . . 0.0 110.059 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.98 -121.64 3.84 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -80.34 -165.12 0.8 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.41 -1.053 . . . . 0.0 109.016 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.87 57.07 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.57 98.92 1.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -85.5 147.17 26.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.384 -0.822 . . . . 0.0 110.451 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.63 11.23 20.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -148.3 135.59 20.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.354 -1.086 . . . . 0.0 109.11 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.518 ' O ' HG13 ' B' ' 54' ' ' VAL . 12.0 p -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.305 -0.872 . . . . 0.0 109.426 -179.645 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 82.6 m-20 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.037 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -101.8 144.94 29.84 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.422 0.629 . . . . 0.0 110.479 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.7 m-20 -60.1 -39.42 86.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.62 -15.0 0.13 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 60.4 mt -60.81 -41.71 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.273 -1.133 . . . . 0.0 109.107 179.259 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -62.4 -39.99 95.05 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.661 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 60.9 tttp -63.96 -38.03 89.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.94 73.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 110.299 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.002 -1.061 . . . . 0.0 110.455 -178.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 52.9 mp0 -99.8 11.73 38.5 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.006 -1.059 . . . . 0.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.7 -40.33 27.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.885 -1.134 . . . . 0.0 109.7 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.13 -39.85 87.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 109.908 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.5 -35.27 77.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.896 . . . . 0.0 110.119 -178.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.75 -16.07 37.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.185 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 58.38 -138.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.292 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -82.47 -6.61 59.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 80.48 4.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.039 -1.038 . . . . 0.0 109.743 -179.467 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.79 63.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.395 -0.816 . . . . 0.0 109.004 179.31 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.17 -39.93 88.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.395 -0.815 . . . . 0.0 109.354 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.503 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.7 ttm -60.12 -46.62 89.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.356 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.89 . . . . 0.0 109.746 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -67.06 -35.06 79.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.309 -0.869 . . . . 0.0 109.81 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -69.97 -44.77 68.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.925 . . . . 0.0 109.741 -179.353 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.28 -0.08 50.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.74 . . . . 0.0 109.82 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' ALA . 75.7 m-20 53.06 45.28 29.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 110.532 179.154 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 31.4 mt -114.23 150.92 44.48 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.176 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.6 Cg_endo -70.79 152.72 64.22 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.923 1.749 . . . . 0.0 111.594 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -40.64 -19.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.354 2.036 . . . . 0.0 112.75 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.1 t -59.93 -50.11 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.091 -1.005 . . . . 0.0 110.623 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.01 -43.46 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 110.94 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.2 82.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.866 -1.146 . . . . 0.0 109.217 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -59.95 -40.1 87.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.172 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.42 -40.43 94.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.386 -0.821 . . . . 0.0 110.18 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -62.87 -40.49 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.971 -1.081 . . . . 0.0 108.734 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.52 -40.04 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.168 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.12 -16.4 7.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.694 -0.629 . . . . 0.0 109.568 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -93.88 -46.82 7.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.082 -1.011 . . . . 0.0 108.901 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.87 126.18 26.61 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.695 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.99 -22.01 46.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 0.0 109.743 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -76.91 -47.04 22.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 0.0 110.329 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.2 m -79.04 -29.98 43.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.247 -179.451 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -70.57 -59.85 2.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.014 -1.054 . . . . 0.0 110.461 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.13 125.3 33.39 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.238 -0.913 . . . . 0.0 109.657 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -81.95 -9.37 59.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -0.879 . . . . 0.0 109.234 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.47 47.92 5.23 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -89.81 92.69 9.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.226 -1.161 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -77.55 -169.11 1.34 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.1 -1.0 . . . . 0.0 109.916 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' ALA . 53.9 ttp 55.9 159.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.52 0.676 . . . . 0.0 109.803 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -84.82 143.52 29.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.107 -0.995 . . . . 0.0 109.347 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -80.75 0.78 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -148.38 33.78 0.8 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -1.054 . . . . 0.0 108.389 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -95.42 -21.81 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.393 -0.817 . . . . 0.0 109.986 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.018 -1.051 . . . . 0.0 109.406 179.767 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.89 144.98 29.86 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.482 0.658 . . . . 0.0 110.524 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.9 m-20 -59.86 -39.94 86.93 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.22 -15.03 0.11 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.191 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' ASP . 59.6 mt -60.93 -41.71 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.315 -1.109 . . . . 0.0 109.021 179.241 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.31 -40.06 95.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 108.534 178.568 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 60.9 tttp -63.8 -38.1 89.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.643 -0.66 . . . . 0.0 109.505 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.91 73.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.06 -39.98 87.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.0 110.189 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.977 -1.077 . . . . 0.0 110.52 -178.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 53.0 mp0 -99.83 11.88 38.14 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.041 -1.037 . . . . 0.0 111.042 -179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -48.9 -40.35 29.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.859 -1.151 . . . . 0.0 109.765 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -39.79 87.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.998 -179.763 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -35.22 77.39 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.176 -0.953 . . . . 0.0 109.997 -178.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.62 -15.98 38.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.794 -1.191 . . . . 0.0 109.236 179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 58.29 -138.22 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.47 -0.769 . . . . 0.0 110.349 179.198 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.0 p -82.65 -6.68 59.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.686 . . . . 0.0 110.302 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 80.41 4.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.0 109.765 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.71 63.19 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.352 -0.842 . . . . 0.0 109.007 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.26 -40.15 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.256 -0.902 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.62 91.5 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.499 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.7 ttm -60.01 -46.69 88.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.866 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.92 -39.99 87.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 0.0 109.743 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -67.37 -34.97 78.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -70.0 -44.87 68.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.216 -0.928 . . . . 0.0 109.698 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -96.29 0.08 50.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.482 -0.761 . . . . 0.0 109.904 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' ALA . 76.4 m-20 53.12 45.18 29.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -0.852 . . . . 0.0 110.528 179.032 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 31.0 mt -114.03 150.91 44.32 Favored Pre-proline 0 N--CA 1.503 2.176 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.211 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.6 Cg_endo -70.82 152.88 64.19 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.859 1.706 . . . . 0.0 111.547 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.68 -20.18 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.336 2.024 . . . . 0.0 112.922 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.93 -49.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.048 -1.033 . . . . 0.0 110.414 -178.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.21 -43.46 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -178.228 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.04 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.892 -1.13 . . . . 0.0 109.252 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 109.163 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.56 -40.23 93.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.5 -0.75 . . . . 0.0 110.376 -179.33 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.499 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -62.93 -40.22 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.066 -1.021 . . . . 0.0 108.635 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.7 -39.99 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.212 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.01 7.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.667 -0.646 . . . . 0.0 109.612 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -94.03 -46.93 6.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.022 -1.049 . . . . 0.0 108.895 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.71 126.15 26.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 108.811 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -78.97 -21.98 46.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.001 . . . . 0.0 109.678 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.89 -46.84 23.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 110.423 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -79.15 -30.06 43.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -0.95 . . . . 0.0 110.25 -179.544 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -70.41 -59.85 2.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.983 -1.073 . . . . 0.0 110.422 -179.372 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -86.1 125.35 33.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.096 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -81.93 -9.65 59.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.183 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.69 48.26 5.04 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -90.06 92.71 9.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.322 -1.105 . . . . 0.0 110.516 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -77.62 -169.28 1.42 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.279 -0.888 . . . . 0.0 109.853 179.417 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.469 ' O ' ' O ' ' B' ' 49' ' ' ALA . 53.7 ttp 55.82 159.46 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.826 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -84.06 143.77 29.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.391 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.71 -80.9 0.78 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.657 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -148.44 33.9 0.79 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.58 -21.67 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.446 -0.784 . . . . 0.0 109.831 -179.642 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.066 -1.021 . . . . 0.0 109.509 179.773 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -100.04 140.63 33.99 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.767 0.794 . . . . 0.0 111.028 -178.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -60.05 -38.01 81.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.67 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.35 -13.01 0.21 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.027 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.4 mt -60.61 -39.72 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.372 -1.075 . . . . 0.0 108.999 178.885 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.096 -1.002 . . . . 0.0 108.501 179.36 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -61.56 -39.25 90.42 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.526 -0.734 . . . . 0.0 109.337 179.574 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 -38.38 74.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.153 -0.967 . . . . 0.0 109.586 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.0 -42.53 94.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.126 -0.983 . . . . 0.0 109.103 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.44 -39.95 95.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.528 -0.732 . . . . 0.0 110.073 -179.872 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -94.56 6.8 47.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.871 . . . . 0.0 110.237 -178.653 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -51.07 -34.3 29.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.092 -1.005 . . . . 0.0 109.396 179.631 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 81.2 mm-40 -60.07 -37.82 81.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 0.0 109.827 -179.193 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.07 -35.72 81.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.096 -1.002 . . . . 0.0 109.947 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.82 -20.02 28.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.925 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 30.1 m-70 59.37 -136.73 0.79 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 0.0 110.011 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -86.07 -2.9 58.75 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.272 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.48 82.31 6.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.802 -1.186 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -70.7 -19.16 62.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.053 -1.029 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.45 HH11 ' HG3' ' A' ' 20' ' ' ARG . 19.0 mmm-85 -60.74 -48.01 83.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.945 . . . . 0.0 109.523 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.65 99.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.182 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.33 89.92 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.93 -42.33 93.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.85 -1.157 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 m -64.85 -40.03 94.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 110.435 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -69.96 -40.18 75.58 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 110.513 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -92.62 -1.33 56.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.108 -0.995 . . . . 0.0 108.891 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.3 m-20 50.97 49.47 21.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.417 -0.802 . . . . 0.0 110.234 179.418 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 mt -116.89 151.74 47.76 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.548 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.46 152.37 43.56 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.133 1.889 . . . . 0.0 111.748 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -41.0 -26.24 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.495 2.13 . . . . 0.0 113.297 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.89 -50.43 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.886 -1.134 . . . . 0.0 110.347 -178.381 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -74.3 -41.84 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.105 -0.997 . . . . 0.0 109.702 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.23 86.74 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.309 -0.869 . . . . 0.0 108.818 -179.737 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.369 -0.832 . . . . 0.0 108.975 178.655 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -64.22 -40.56 96.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.04 -42.77 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.885 -1.134 . . . . 0.0 108.215 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.7 t -65.16 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.37 68.49 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.643 -179.613 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -88.08 -36.62 16.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 109.7 -178.807 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.17 129.65 42.95 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.98 -27.57 54.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.065 -1.022 . . . . 0.0 110.152 -179.136 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.01 -40.14 68.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.011 -1.056 . . . . 0.0 110.112 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -86.94 1.33 53.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 109.907 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -78.2 -70.04 0.51 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -0.999 . . . . 0.0 109.681 -179.511 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -83.43 129.79 35.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 48' ' ' GLU . 58.9 mttp -79.27 159.86 27.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.0 109.28 179.469 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.16 2.88 0.58 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 46' ' ' LYS . 99.0 mt-10 -82.63 147.54 28.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -1.232 . . . . 0.0 109.24 179.775 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.67 167.76 9.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.771 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ttt 66.06 21.42 11.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 109.937 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -85.71 106.39 16.94 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.894 -1.129 . . . . 0.0 109.38 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.88 86.33 0.14 Allowed Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.59 150.63 30.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.189 -1.183 . . . . 0.0 109.38 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 54' ' ' VAL . 16.3 m -92.56 141.54 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 108.919 179.695 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.298 -179.825 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.06 140.6 34.06 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.81 0.814 . . . . 0.0 110.986 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.7 m-20 -60.04 -37.98 81.39 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.33 -12.99 0.2 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.108 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.4 mt -60.68 -39.6 82.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -1.096 . . . . 0.0 108.96 178.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.07 -39.29 85.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.561 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -61.46 -39.08 89.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.396 179.533 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.23 74.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.592 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.05 -42.37 94.35 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.19 -0.944 . . . . 0.0 109.219 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.68 -39.94 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.009 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -94.65 6.89 47.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 -178.676 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -51.06 -34.46 30.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.339 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 81.2 mm-40 -59.98 -37.63 80.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.911 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.25 -35.51 80.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.887 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.96 -20.11 27.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.03 -1.043 . . . . 0.0 109.929 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 30.3 m-70 59.52 -136.68 0.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 110.065 179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -86.12 -2.85 58.72 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.0 110.505 -179.351 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.52 82.47 6.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.871 -1.143 . . . . 0.0 109.581 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.405 ' CZ2' ' HD2' ' B' ' 20' ' ' ARG . 67.3 p-90 -70.86 -19.15 62.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.079 -1.013 . . . . 0.0 109.118 179.694 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' B' ' 20' ' ' ARG . 19.0 mmm-85 -60.64 -48.09 83.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 109.502 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.64 99.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.32 -0.863 . . . . 0.0 109.236 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.59 88.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.182 -0.949 . . . . 0.0 109.751 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.65 -42.41 92.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.843 -1.161 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.3 m -64.79 -39.97 94.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.144 -0.973 . . . . 0.0 110.469 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -70.12 -39.96 75.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.995 -1.066 . . . . 0.0 110.535 -179.361 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -92.67 -1.31 56.96 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.028 -1.045 . . . . 0.0 108.908 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 86.3 m-20 51.01 49.42 21.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.415 -0.803 . . . . 0.0 110.143 179.331 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.94 151.69 47.74 Favored Pre-proline 0 N--CA 1.502 2.144 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.38 152.51 44.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.028 1.819 . . . . 0.0 111.744 179.524 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -41.0 -26.34 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.524 2.149 . . . . 0.0 113.42 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -50.2 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.81 -1.181 . . . . 0.0 110.313 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.4 -41.88 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.09 -1.006 . . . . 0.0 109.759 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.39 86.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.268 -0.895 . . . . 0.0 108.824 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.894 . . . . 0.0 108.874 178.777 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.25 -40.53 96.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 110.474 -179.309 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.01 -42.66 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.995 -1.066 . . . . 0.0 108.29 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.22 -40.01 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.156 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.575 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.25 -27.21 68.29 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 -179.753 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -88.15 -36.86 16.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.977 -1.077 . . . . 0.0 109.45 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.11 129.84 43.82 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.158 -0.964 . . . . 0.0 108.475 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.16 -27.48 53.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 110.134 -179.094 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -72.08 -40.11 68.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.013 . . . . 0.0 110.107 -179.082 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -86.96 1.04 54.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 0.0 109.942 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 12.2 tp-100 -78.35 -69.97 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.713 -179.566 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -83.1 129.58 35.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.184 -0.947 . . . . 0.0 109.542 -179.882 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' B' ' 48' ' ' GLU . 58.9 mttp -79.23 159.69 27.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.296 179.465 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.07 3.12 0.5 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -179.747 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' B' ' 46' ' ' LYS . 98.9 mt-10 -82.97 147.45 28.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.071 -1.252 . . . . 0.0 109.304 179.722 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.51 167.9 9.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.123 -0.986 . . . . 0.0 109.943 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.6 ttt 66.0 21.22 11.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.618 -0.676 . . . . 0.0 109.909 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -85.33 106.39 16.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.769 -1.207 . . . . 0.0 109.576 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.88 86.52 0.15 Allowed Glycine 0 N--CA 1.495 2.613 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.61 150.5 31.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.083 -1.245 . . . . 0.0 109.36 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.3 m -92.5 141.56 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.302 -0.874 . . . . 0.0 108.852 179.639 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.285 -179.908 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.94 140.3 33.31 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.456 0.646 . . . . 0.0 110.707 -178.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 5' ' ' ILE . 8.4 t70 -59.98 -36.63 77.56 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.785 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.58 -13.29 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.873 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.481 ' N ' ' C ' ' A' ' 3' ' ' ASP . 59.0 mt -61.98 -41.08 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.467 -1.02 . . . . 0.0 109.174 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.1 -39.0 93.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.273 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.07 72.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -0.86 . . . . 0.0 109.598 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.03 -41.31 91.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.032 . . . . 0.0 108.783 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.12 -35.68 81.1 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.498 -0.751 . . . . 0.0 109.379 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.96 2.82 56.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 110.523 -178.668 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.57 -41.37 30.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.983 -1.073 . . . . 0.0 109.629 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mt-10 -59.98 -39.05 84.34 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.349 -0.844 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -60.07 -39.23 85.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.505 -0.747 . . . . 0.0 109.964 -178.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.32 -16.73 36.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.868 -1.145 . . . . 0.0 109.577 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 42.7 m-70 58.82 -133.56 1.0 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 179.029 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -82.84 -9.24 59.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 -179.34 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.42 79.66 7.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.969 -1.082 . . . . 0.0 110.083 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.18 -23.32 62.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -40.37 92.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.326 -0.859 . . . . 0.0 110.295 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.21 88.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.35 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.77 -40.45 97.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.872 . . . . 0.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -39.97 84.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 0.0 109.708 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m -67.26 -36.24 81.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.883 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.84 -43.46 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 109.387 -179.608 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -93.05 -1.96 56.07 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 109.818 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.1 m120 52.32 50.06 19.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 179.237 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.05 153.72 49.67 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.482 -0.761 . . . . 0.0 109.062 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' VAL . 62.2 Cg_endo -74.21 149.96 41.54 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.842 1.694 . . . . 0.0 110.885 178.843 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -40.69 -21.09 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.082 1.855 . . . . 0.0 112.553 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.09 -49.85 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.026 -1.046 . . . . 0.0 110.468 -178.899 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.78 -40.03 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.044 -1.035 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.23 74.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.99 -1.069 . . . . 0.0 109.086 -179.2 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.48 -39.94 89.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.07 -40.06 94.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.386 -0.821 . . . . 0.0 110.285 -179.283 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.34 -41.27 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.033 -1.042 . . . . 0.0 108.442 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -39.94 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.136 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -26.83 65.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.733 -0.604 . . . . 0.0 110.378 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -94.87 -19.88 19.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.915 -1.115 . . . . 0.0 109.092 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 41' ' ' ASP . 14.6 t -60.58 155.02 19.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.306 -0.871 . . . . 0.0 108.909 179.002 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 90.8 m-20 -80.57 -69.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.188 -0.945 . . . . 0.0 111.506 -178.769 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -70.7 -37.18 73.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.63 -0.669 . . . . 0.0 112.14 -176.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.09 -24.82 61.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.518 -1.364 . . . . 0.0 111.623 -177.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -69.85 -41.2 75.21 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.364 -1.46 . . . . 0.0 109.77 -179.194 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.9 mt -88.13 146.12 25.58 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.049 -1.032 . . . . 0.0 109.394 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 68.5 mttm -78.37 145.17 35.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 109.607 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.98 45.37 0.42 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.539 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 84.3 tt0 -153.09 160.92 42.98 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.216 -1.167 . . . . 0.0 109.685 -179.336 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.21 -167.73 2.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 109.121 -179.763 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ttt 58.57 37.89 25.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 108.493 -179.271 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -152.09 160.87 43.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 0.0 109.096 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.76 8.9 79.07 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -78.16 150.28 33.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -1.151 . . . . 0.0 108.801 179.671 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.4 p -94.93 134.25 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.091 -1.006 . . . . 0.0 110.052 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.315 179.767 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.4 mt -98.92 140.11 33.57 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.413 0.625 . . . . 0.0 110.71 -178.831 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' B' ' 5' ' ' ILE . 8.3 t70 -59.89 -36.69 77.49 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 -13.3 0.46 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 178.915 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.484 ' N ' ' C ' ' B' ' 3' ' ' ASP . 58.6 mt -62.13 -40.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.448 -1.03 . . . . 0.0 109.167 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.08 -39.92 87.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 108.594 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.28 -38.86 92.56 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.249 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.09 72.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.329 -0.857 . . . . 0.0 109.492 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.9 -41.51 91.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.008 -1.057 . . . . 0.0 108.695 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.93 -35.64 80.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.501 -0.749 . . . . 0.0 109.462 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.0 2.81 56.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.357 -0.84 . . . . 0.0 110.562 -178.671 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -48.58 -41.18 29.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.902 -1.123 . . . . 0.0 109.63 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 93.0 mt-10 -60.12 -39.11 85.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.337 -0.852 . . . . 0.0 109.893 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -60.0 -39.49 85.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.806 . . . . 0.0 109.809 -178.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.06 -16.69 37.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.869 -1.145 . . . . 0.0 109.566 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 43.2 m-70 58.81 -133.76 0.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 110.385 178.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 t -82.76 -9.39 59.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 110.211 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.39 79.97 7.89 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.065 -1.022 . . . . 0.0 109.97 -179.606 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.27 -23.19 62.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 0.0 109.255 179.101 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.85 -40.38 92.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.343 -0.848 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.185 -0.947 . . . . 0.0 109.602 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.78 -40.23 96.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.33 -40.25 85.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 -179.863 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -66.94 -36.21 81.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.321 -0.862 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -69.82 -43.48 71.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.373 -179.658 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -93.12 -1.98 55.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.511 -0.743 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 52.33 50.02 19.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.499 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.11 153.6 49.73 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.499 -0.751 . . . . 0.0 109.026 179.582 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 61.8 Cg_endo -74.2 150.03 41.68 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.755 1.637 . . . . 0.0 110.91 178.918 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.61 -21.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.064 1.842 . . . . 0.0 112.507 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.6 t -60.05 -50.09 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.022 -1.049 . . . . 0.0 110.388 -178.839 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.69 -39.95 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.898 -1.126 . . . . 0.0 110.423 -179.029 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.2 74.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.059 . . . . 0.0 109.031 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.48 -39.94 89.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 109.709 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -62.01 -40.14 94.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 110.151 -179.219 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.26 -41.13 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.993 -1.067 . . . . 0.0 108.629 -179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.99 -39.89 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.181 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -27.15 66.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.756 -0.59 . . . . 0.0 110.216 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -94.55 -19.7 20.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.008 -1.057 . . . . 0.0 109.063 -179.82 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' B' ' 41' ' ' ASP . 14.8 t -60.67 154.92 20.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.263 -0.898 . . . . 0.0 108.933 178.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' B' ' 40' ' ' CYS . 91.8 m-20 -80.36 -69.65 0.58 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 111.449 -178.857 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -70.46 -37.18 74.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.551 -0.718 . . . . 0.0 112.217 -177.033 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.17 -25.02 61.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.583 -1.323 . . . . 0.0 111.642 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -69.6 -41.21 76.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.423 -1.423 . . . . 0.0 109.82 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.2 mt -88.04 145.98 25.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.972 -1.08 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 48' ' ' GLU . 68.5 mttm -78.4 145.23 35.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 109.546 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.05 45.41 0.43 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' B' ' 46' ' ' LYS . 84.0 tt0 -153.14 160.94 42.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -1.175 . . . . 0.0 109.685 -179.359 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.23 -167.74 2.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.826 . . . . 0.0 109.113 -179.698 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.8 ttt 58.44 38.02 25.67 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -152.08 160.84 43.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.386 -0.821 . . . . 0.0 109.133 -179.734 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.76 8.82 79.2 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -78.03 150.18 33.88 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -1.202 . . . . 0.0 108.779 179.651 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.04 134.26 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.182 -0.949 . . . . 0.0 110.006 -179.122 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.399 179.831 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.608 0.718 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.7 145.96 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.732 0.777 . . . . 0.0 110.821 -179.392 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 47.0 t0 -60.04 -39.97 87.75 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.46 -16.52 0.58 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 179.553 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.01 -41.46 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.343 -1.092 . . . . 0.0 108.698 179.128 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.05 -38.89 92.29 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.619 -0.676 . . . . 0.0 109.585 -179.584 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.06 -41.91 93.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.122 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.61 -39.99 93.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -0.864 . . . . 0.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.57 3.51 55.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.241 -0.912 . . . . 0.0 110.655 -178.723 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.5 -42.29 43.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.796 -1.19 . . . . 0.0 109.397 -179.836 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -38.81 84.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.88 . . . . 0.0 109.959 179.837 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.3 -39.97 88.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.814 . . . . 0.0 110.565 -178.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.11 -14.83 45.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.95 -1.094 . . . . 0.0 109.835 -179.372 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 59.41 -134.09 0.89 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.44 -0.787 . . . . 0.0 110.523 179.437 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -84.31 -1.16 54.9 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.317 -0.864 . . . . 0.0 110.687 -178.914 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.45 6.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.868 -1.145 . . . . 0.0 109.883 -179.643 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.93 -27.73 65.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.97 -41.1 91.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.768 -179.313 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.88 82.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.952 . . . . 0.0 109.062 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.66 -42.96 99.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 109.474 179.577 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.0 85.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 0.0 109.248 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.33 -38.03 88.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.421 -0.8 . . . . 0.0 109.973 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.96 75.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.37 -0.03 53.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.15 -0.969 . . . . 0.0 109.397 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 51.62 48.5 22.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.368 -0.833 . . . . 0.0 110.066 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 mt -116.34 153.55 48.73 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.453 -0.779 . . . . 0.0 109.206 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 90.6 Cg_endo -76.21 149.92 32.5 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.047 1.832 . . . . 0.0 111.501 178.861 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -38.31 -22.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.435 2.09 . . . . 0.0 113.024 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -60.0 -52.47 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.767 -1.208 . . . . 0.0 110.338 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.5 -39.99 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.125 -0.984 . . . . 0.0 110.089 -179.417 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.3 78.3 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.165 -0.959 . . . . 0.0 108.985 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.68 -39.97 90.4 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 109.322 179.118 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.98 -40.84 96.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.495 -0.753 . . . . 0.0 110.662 -179.136 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.33 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.97 -1.081 . . . . 0.0 108.206 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.87 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.172 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.51 -20.37 59.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.832 -0.542 . . . . 0.0 110.535 -179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 m -94.44 -38.31 11.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.906 -1.121 . . . . 0.0 109.581 -179.232 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.91 130.54 47.24 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.196 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.43 -31.31 48.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.993 . . . . 0.0 110.794 -179.039 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -70.82 -40.21 72.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.847 -1.158 . . . . 0.0 109.991 -179.143 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.0 m -86.42 6.09 31.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.097 -1.002 . . . . 0.0 109.791 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.9 tp-100 -78.28 -69.87 0.53 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.44 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.21 119.52 25.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 109.328 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -80.01 -69.98 0.55 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.004 . . . . 0.0 109.916 179.891 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.78 15.44 0.06 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -81.56 -9.78 59.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -1.176 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' MET . . . -70.41 -165.11 0.09 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.186 -0.947 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 2.7 tmm? 75.11 -69.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.613 -0.679 . . . . 0.0 109.392 -179.567 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -153.83 -46.91 0.09 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.857 . . . . 0.0 110.313 -179.611 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.81 -149.56 20.65 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.526 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -78.21 132.67 37.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.134 -1.215 . . . . 0.0 109.287 -179.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.11 142.61 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.367 -0.833 . . . . 0.0 109.108 179.608 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.466 -179.839 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.72 145.97 24.19 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.823 0.821 . . . . 0.0 110.876 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.449 ' C ' ' N ' ' B' ' 5' ' ' ILE . 47.4 t0 -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -16.4 0.57 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' B' ' 3' ' ' ASP . 79.8 mt -60.05 -41.52 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.274 -1.133 . . . . 0.0 108.689 179.16 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -65.17 -38.9 92.0 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.1 77.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.589 -0.695 . . . . 0.0 109.599 -179.601 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.11 -41.8 93.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.949 -1.094 . . . . 0.0 109.024 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.72 -39.98 93.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.358 -0.839 . . . . 0.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.46 3.4 55.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.232 -0.917 . . . . 0.0 110.775 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -42.45 40.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.753 -1.217 . . . . 0.0 109.436 -179.848 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.4 -0.813 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.24 -39.98 88.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 110.639 -178.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.06 -14.85 45.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.89 -1.131 . . . . 0.0 109.853 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 59.36 -134.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.324 -0.86 . . . . 0.0 110.438 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -84.08 -1.32 54.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.351 -0.843 . . . . 0.0 110.652 -178.848 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.52 6.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.859 -1.151 . . . . 0.0 109.972 -179.586 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -70.08 -27.7 64.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.397 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.96 -41.08 91.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 0.0 109.778 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.9 82.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.15 -0.969 . . . . 0.0 109.004 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.8 ttp -62.55 -42.95 99.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.88 85.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.11 -0.993 . . . . 0.0 109.278 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.46 -38.16 89.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.7 -40.03 76.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 110.481 -179.316 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.52 0.07 52.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.086 -1.009 . . . . 0.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 51.51 48.48 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.346 -0.846 . . . . 0.0 110.155 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -116.38 153.56 48.79 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.507 -0.746 . . . . 0.0 109.259 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 90.8 Cg_endo -76.21 149.97 32.56 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.039 1.826 . . . . 0.0 111.392 179.013 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.38 -22.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.426 2.084 . . . . 0.0 113.082 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.9 t -59.98 -52.6 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.912 -1.118 . . . . 0.0 110.186 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.37 -39.98 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.965 . . . . 0.0 110.164 -179.448 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.18 78.77 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.972 -1.08 . . . . 0.0 108.977 -179.03 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.74 -39.99 90.73 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 109.253 179.127 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.11 -40.86 97.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.649 -178.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.23 -40.05 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.028 -1.045 . . . . 0.0 108.251 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.84 -40.0 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.137 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.47 -20.68 60.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.792 -0.567 . . . . 0.0 110.613 -179.79 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.2 m -94.25 -38.31 11.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.924 -1.11 . . . . 0.0 109.662 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.9 130.46 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.105 -0.997 . . . . 0.0 108.422 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.4 -31.32 48.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.984 . . . . 0.0 110.797 -179.057 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.7 -40.44 72.85 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.955 -1.09 . . . . 0.0 110.026 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -86.21 5.99 31.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.154 -0.966 . . . . 0.0 109.809 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -78.12 -69.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 -179.714 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.12 119.56 25.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.262 -0.899 . . . . 0.0 109.366 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -79.94 -70.03 0.55 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.151 -0.968 . . . . 0.0 109.923 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.75 15.64 0.06 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.793 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -81.69 -9.65 59.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -1.145 . . . . 0.0 109.015 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' B' ' 50' ' ' MET . . . -70.52 -165.19 0.1 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 0.0 109.177 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 2.7 tmm? 75.23 -70.22 0.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.4 -179.621 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -153.56 -47.08 0.09 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 0.0 110.351 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.8 -149.51 20.59 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -78.14 132.65 37.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -1.221 . . . . 0.0 109.412 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.11 142.63 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.387 -0.821 . . . . 0.0 109.147 179.635 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.433 -179.861 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.647 0.737 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.34 141.48 31.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.64 0.733 . . . . 0.0 110.729 -179.067 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.623 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.97 -15.28 0.16 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 63.6 mt -60.36 -40.6 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -1.129 . . . . 0.0 108.683 178.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.04 -35.84 82.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -37.25 76.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.89 -40.1 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.073 -1.017 . . . . 0.0 109.333 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.26 -40.02 88.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.57 1.91 56.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.029 -1.044 . . . . 0.0 110.927 -178.676 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.51 -41.09 29.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.798 -1.188 . . . . 0.0 108.922 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.99 -39.96 91.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.518 -0.739 . . . . 0.0 109.332 179.323 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.99 -40.06 92.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.321 -0.862 . . . . 0.0 109.609 -179.556 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.54 -18.12 32.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.623 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.5 m80 57.61 -128.8 1.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.486 -0.759 . . . . 0.0 110.208 179.321 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -85.37 -9.05 58.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.501 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -78.07 74.91 4.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 0.0 109.654 -179.052 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.05 -25.1 63.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.572 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.5 -40.19 90.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.952 . . . . 0.0 109.681 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.09 89.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.344 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 ttp -61.88 -40.72 96.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 0.0 109.438 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.86 -40.0 82.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.017 -1.052 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.52 -40.02 77.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.93 -1.55 54.52 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.109 -0.994 . . . . 0.0 108.909 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.5 m120 52.09 50.09 19.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -0.785 . . . . 0.0 110.139 179.174 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.58 153.07 51.97 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.563 -0.711 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.49 154.69 45.31 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.971 1.78 . . . . 0.0 111.316 179.286 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.68 -21.5 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.18 1.92 . . . . 0.0 112.954 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.71 -57.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 110.46 -178.719 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.79 -40.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 110.132 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.15 70.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.397 178.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.19 -40.53 90.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.022 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.93 -41.29 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 108.326 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.05 -40.04 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.031 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.12 -18.53 58.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.564 -0.71 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -95.07 -40.45 9.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.033 -1.042 . . . . 0.0 109.919 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.3 130.55 46.72 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.008 -1.057 . . . . 0.0 108.614 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -76.42 -32.79 58.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 110.505 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.3 -39.92 74.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.414 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.78 -4.98 59.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.986 -1.071 . . . . 0.0 110.258 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -69.71 -58.21 4.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.059 -1.026 . . . . 0.0 109.509 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -89.1 141.03 28.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.223 -0.923 . . . . 0.0 109.843 -179.784 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 48' ' ' GLU . 62.9 mttp -79.91 159.97 26.17 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.23 0.85 0.31 Allowed Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' A' ' 46' ' ' LYS . 87.0 tt0 -89.41 -79.97 0.31 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.063 -1.257 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 56.07 6.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -0.935 . . . . 0.0 109.858 179.61 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mtm -151.79 107.56 3.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.277 -0.889 . . . . 0.0 109.024 179.77 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -83.56 152.23 24.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.515 -0.741 . . . . 0.0 109.928 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.54 146.77 21.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.3 121.65 26.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 0.0 108.806 179.732 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 54' ' ' VAL . 16.0 m -94.85 -1.98 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.156 -0.965 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.348 179.673 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.641 0.734 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.4 141.45 31.26 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.643 0.735 . . . . 0.0 110.709 -178.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -60.04 -39.86 87.36 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.683 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -15.39 0.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 178.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 63.6 mt -60.23 -40.63 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -1.143 . . . . 0.0 108.68 178.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.17 -35.7 81.9 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.362 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.1 76.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.516 -0.74 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.026 -1.046 . . . . 0.0 109.336 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.33 -39.99 89.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.168 -0.957 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.61 1.88 57.02 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.118 -0.989 . . . . 0.0 110.898 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.4 -41.1 28.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.826 -1.172 . . . . 0.0 108.904 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.95 -39.98 91.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.497 -0.752 . . . . 0.0 109.448 179.307 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.12 -40.01 92.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.557 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.45 -18.21 32.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 109.508 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.5 m80 57.71 -128.75 1.6 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.453 -0.779 . . . . 0.0 110.188 179.309 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 p -85.42 -8.93 58.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.0 110.479 -179.294 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.14 74.81 4.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 109.699 -179.029 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.0 -25.12 63.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.636 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.62 -40.02 90.35 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 109.63 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.06 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.325 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.95 -40.79 96.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 109.39 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.76 -40.01 82.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.88 -1.138 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.5 m -64.33 -39.99 95.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 110.16 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.66 -39.95 76.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.211 -0.931 . . . . 0.0 110.501 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -93.75 -1.63 54.81 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.094 -1.004 . . . . 0.0 108.962 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.5 m120 52.3 49.93 19.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.475 -0.766 . . . . 0.0 110.068 179.061 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -118.56 153.1 51.94 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.526 -0.734 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.56 154.56 44.87 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.996 1.797 . . . . 0.0 111.215 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.51 -21.67 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.153 1.902 . . . . 0.0 112.982 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.57 -57.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.017 -1.052 . . . . 0.0 110.494 -178.704 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.82 -39.96 76.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.221 -0.925 . . . . 0.0 110.182 -179.075 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.02 71.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.046 -1.034 . . . . 0.0 109.418 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.037 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.32 -40.22 89.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.389 -0.819 . . . . 0.0 109.994 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.22 -41.17 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.049 -1.032 . . . . 0.0 108.363 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.15 -39.95 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.54 58.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.681 -0.637 . . . . 0.0 110.17 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.2 m -95.13 -40.27 9.69 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.052 -1.03 . . . . 0.0 109.932 -179.198 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.41 130.5 46.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 108.536 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -76.41 -32.79 58.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.221 -0.925 . . . . 0.0 110.474 -179.101 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.29 -40.1 74.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 110.378 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.76 -4.76 59.25 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.019 -1.051 . . . . 0.0 110.203 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 66.2 tp60 -69.73 -58.27 4.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 109.509 -179.456 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.13 140.86 29.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.205 -0.935 . . . . 0.0 109.787 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' B' ' 48' ' ' GLU . 62.9 mttp -79.75 160.0 26.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.622 178.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.32 0.79 0.33 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 46' ' ' LYS . 87.2 tt0 -89.39 -80.06 0.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.272 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.46 55.57 7.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.969 . . . . 0.0 109.86 179.592 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mtm -151.08 107.13 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.306 -0.871 . . . . 0.0 109.177 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -82.75 152.11 25.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.44 146.72 21.47 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.32 121.46 26.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -1.076 . . . . 0.0 108.77 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -94.6 -2.08 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.154 -0.966 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.325 179.719 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.13 138.43 37.21 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.705 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.9 m-20 -60.23 -36.88 78.73 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.342 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -12.13 0.19 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' ASP . 34.1 mt -59.91 -35.8 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.638 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 57.8 t0 -59.97 -37.06 78.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.39 -0.818 . . . . 0.0 109.244 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.09 -36.69 84.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 109.372 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.42 72.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.264 -0.898 . . . . 0.0 109.764 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.09 -41.2 92.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.079 -1.013 . . . . 0.0 109.588 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -40.01 94.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.36 5.8 50.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.184 -0.948 . . . . 0.0 110.652 -178.724 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.2 t -49.31 -41.74 39.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.868 -1.145 . . . . 0.0 109.137 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.38 -39.63 91.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.639 -0.663 . . . . 0.0 109.718 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 87.8 tttt -60.48 -39.81 89.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.212 -0.93 . . . . 0.0 110.062 -179.056 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.8 -13.02 43.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.983 -1.073 . . . . 0.0 109.634 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 29.8 m80 58.96 -139.02 0.76 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.434 -0.792 . . . . 0.0 110.242 179.058 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -83.9 -2.32 56.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -0.924 . . . . 0.0 110.342 -179.192 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.07 82.55 6.12 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.004 -1.06 . . . . 0.0 109.542 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.12 -29.18 66.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.477 -0.764 . . . . 0.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -60.11 -40.34 89.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.898 -1.126 . . . . 0.0 110.4 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.39 89.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.877 -1.139 . . . . 0.0 108.613 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.01 -44.77 96.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.535 -0.728 . . . . 0.0 109.587 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.93 -40.22 75.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.375 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -64.79 -39.73 94.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.404 -0.81 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.88 -39.99 75.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.067 -1.021 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.19 -3.08 57.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.041 . . . . 0.0 109.004 179.518 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 86.9 m-20 52.85 47.14 25.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.508 -0.745 . . . . 0.0 110.735 179.035 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 mt -117.48 151.34 48.07 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.444 -0.785 . . . . 0.0 108.975 179.621 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.37 153.98 55.91 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.862 1.708 . . . . 0.0 111.652 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.41 -24.14 0.22 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.656 2.237 . . . . 0.0 113.667 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.83 -53.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.99 -1.069 . . . . 0.0 110.112 -178.368 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.62 -40.88 62.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.375 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.33 70.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 0.0 109.56 -179.537 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.31 -39.98 88.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.94 -1.1 . . . . 0.0 109.328 178.552 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.2 -40.98 95.97 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.132 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.21 -40.17 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.744 -1.222 . . . . 0.0 107.908 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.07 -39.94 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.352 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.81 -19.74 30.74 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.667 -0.645 . . . . 0.0 109.787 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m -92.05 -44.51 8.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.073 -1.017 . . . . 0.0 108.719 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.61 123.95 18.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.622 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.64 -21.02 56.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.889 -1.132 . . . . 0.0 109.994 -179.473 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -78.52 -46.88 18.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.963 -1.086 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -79.05 -20.83 47.91 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.085 -1.01 . . . . 0.0 110.209 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.37 -69.09 0.56 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.895 -1.128 . . . . 0.0 108.971 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.19 152.31 29.23 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.351 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -76.91 -6.23 51.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.009 -1.057 . . . . 0.0 109.49 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.71 -140.39 7.51 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.24 145.07 30.23 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.137 -1.214 . . . . 0.0 109.142 179.79 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.6 -84.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -0.867 . . . . 0.0 109.096 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -78.86 151.94 31.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -84.44 143.45 29.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.242 -0.911 . . . . 0.0 109.584 -179.862 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.69 -29.5 15.91 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -148.75 127.21 12.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.16 -1.2 . . . . 0.0 109.167 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.04 -73.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.87 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.528 179.647 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.07 138.25 37.4 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -0.843 . . . . 0.0 111.137 -178.691 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.8 m-20 -60.09 -36.73 78.06 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.267 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.77 -12.04 0.2 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.046 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 33.9 mt -59.93 -35.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.706 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 57.4 t0 -60.34 -37.03 79.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.541 -0.724 . . . . 0.0 109.143 179.243 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -62.82 -37.15 85.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.181 -0.949 . . . . 0.0 109.385 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.41 72.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 -179.479 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.91 -41.14 91.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 -40.06 94.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.47 5.99 49.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.155 -0.966 . . . . 0.0 110.64 -178.726 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -49.36 -41.7 39.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.748 -1.22 . . . . 0.0 108.928 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.49 -39.41 90.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.479 -0.763 . . . . 0.0 109.766 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 87.8 tttt -60.62 -40.05 90.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.037 -1.039 . . . . 0.0 110.053 -179.098 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -87.48 -12.95 44.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.032 -1.043 . . . . 0.0 109.709 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 29.5 m80 58.69 -139.13 0.78 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.496 -0.752 . . . . 0.0 110.207 179.145 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.99 -2.12 56.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -80.22 83.0 6.15 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.42 -28.99 65.49 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.485 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.3 -40.36 90.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.957 -1.089 . . . . 0.0 110.337 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.52 89.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.055 . . . . 0.0 108.629 179.551 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -61.81 -44.85 96.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.626 -0.671 . . . . 0.0 109.655 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.07 -40.01 76.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.144 -0.973 . . . . 0.0 109.381 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.7 m -64.71 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.419 -0.801 . . . . 0.0 110.28 -179.646 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.95 -40.08 75.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.917 -179.4 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.28 -2.96 57.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.119 -0.988 . . . . 0.0 108.918 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 86.9 m-20 52.64 47.43 24.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 0.0 110.718 178.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 mt -117.59 151.48 48.4 Favored Pre-proline 0 N--CA 1.503 2.206 0 O-C-N 121.353 -0.842 . . . . 0.0 108.841 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.34 154.01 56.07 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.9 1.733 . . . . 0.0 111.603 179.575 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -41.52 -24.04 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.659 2.239 . . . . 0.0 113.671 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.97 -53.0 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.863 -1.148 . . . . 0.0 110.071 -178.41 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -40.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.923 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.083 -1.011 . . . . 0.0 109.6 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.25 -40.02 88.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 178.698 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.09 -40.79 95.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 -179.181 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.23 -40.16 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.03 -40.2 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.183 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.8 -19.64 29.84 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.738 -179.645 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.6 m -92.1 -44.12 9.0 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.094 -1.003 . . . . 0.0 108.748 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.03 123.68 17.86 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.553 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.46 -20.82 56.63 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.851 -1.156 . . . . 0.0 110.088 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -78.79 -46.92 17.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.974 -1.079 . . . . 0.0 110.242 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.6 m -78.9 -21.0 48.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.051 -1.03 . . . . 0.0 110.225 -179.291 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.31 -69.49 0.53 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.975 -1.078 . . . . 0.0 108.89 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.82 152.13 29.89 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.4 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -76.67 -6.35 51.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.77 -140.41 7.51 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -82.15 145.11 30.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -1.166 . . . . 0.0 109.206 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.73 -84.7 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.115 -0.991 . . . . 0.0 109.038 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -78.6 151.24 32.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 0.0 109.403 179.717 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -83.38 143.73 30.12 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 109.748 179.754 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.95 -29.49 15.28 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.736 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -148.75 127.3 12.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.09 -1.241 . . . . 0.0 109.133 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.0 t -89.96 -73.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.431 -0.793 . . . . 0.0 109.077 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.479 179.806 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.9 mt -98.6 137.02 37.85 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.401 -0.812 . . . . 0.0 111.183 -178.654 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.4 m-20 -60.76 -39.05 87.3 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.44 -11.7 0.16 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.151 -1.58 . . . . 0.0 109.151 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 41.7 mt -59.79 -32.75 50.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.406 -1.055 . . . . 0.0 108.299 178.815 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.17 -0.956 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.77 -39.49 88.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.177 -0.952 . . . . 0.0 108.569 179.44 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.2 79.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.501 -0.749 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.11 -40.91 91.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.83 -1.169 . . . . 0.0 109.021 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -61.55 -40.01 93.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.52 -0.737 . . . . 0.0 110.214 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.1 2.08 56.9 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.277 -0.889 . . . . 0.0 110.386 -178.685 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.04 -39.68 20.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.86 -39.43 85.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.407 -0.808 . . . . 0.0 109.069 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.42 -39.76 88.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -85.04 -16.52 40.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.295 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 59.74 -137.28 0.73 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 t -86.7 -1.85 58.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.855 . . . . 0.0 110.285 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.44 79.24 8.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.945 -1.097 . . . . 0.0 109.588 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.96 -25.77 63.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.0 109.809 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.18 78.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.17 -0.956 . . . . 0.0 109.759 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.41 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.0 81.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.094 -1.004 . . . . 0.0 109.583 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.8 m -64.86 -39.95 94.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 0.0 110.76 -179.413 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -70.02 -40.02 75.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.079 -1.013 . . . . 0.0 110.707 -178.87 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -92.81 -2.26 56.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.155 -0.966 . . . . 0.0 108.978 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 52.09 46.64 26.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.402 -0.811 . . . . 0.0 110.03 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.36 151.41 44.35 Favored Pre-proline 0 N--CA 1.501 2.117 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.8 Cg_endo -72.72 150.42 50.29 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.891 1.727 . . . . 0.0 111.538 179.329 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -40.65 -23.72 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.428 2.085 . . . . 0.0 113.122 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.98 -50.57 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.949 -1.094 . . . . 0.0 110.327 -178.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -76.97 -38.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.12 -0.988 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.61 68.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 109.089 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.63 -40.02 90.43 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.37 -40.0 92.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 110.455 -179.025 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.01 -40.66 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.15 -39.56 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.474 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.89 64.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.773 -0.579 . . . . 0.0 110.705 -179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -92.52 -34.41 14.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.866 -1.146 . . . . 0.0 109.647 -179.327 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.5 t -60.01 130.63 47.68 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.067 -1.021 . . . . 0.0 108.554 179.022 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -76.69 -34.89 58.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 0.0 110.911 -179.035 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.28 -40.05 74.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 110.868 -178.49 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -85.32 -1.04 56.54 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 67.0 tp60 -69.5 -57.99 4.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.026 -1.046 . . . . 0.0 109.482 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.52 145.24 27.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.462 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.93 -40.15 75.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.868 . . . . 0.0 109.221 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.41 -105.59 0.27 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 56.3 mp0 -85.78 102.91 14.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.19 -1.183 . . . . 0.0 109.155 179.753 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.03 59.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 110.146 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.5 ptp -78.44 131.01 36.73 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.03 . . . . 0.0 109.626 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.2 -0.46 57.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.141 -0.975 . . . . 0.0 109.979 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.43 -159.78 53.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.56 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.68 137.36 36.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -1.123 . . . . 0.0 109.914 -179.569 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.05 123.69 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 109.135 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.478 -179.881 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.59 137.08 37.75 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.856 0.836 . . . . 0.0 111.079 -178.594 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.84 -39.24 88.33 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.17 -11.87 0.15 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' B' ' 3' ' ' ASP . 41.5 mt -59.75 -32.67 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 121.407 -1.055 . . . . 0.0 108.352 178.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -40.03 88.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.061 179.308 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.71 -39.34 88.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 108.625 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.48 80.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -59.93 -40.71 89.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.857 -1.152 . . . . 0.0 108.93 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.66 -40.06 93.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.447 -0.783 . . . . 0.0 110.145 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.13 2.22 56.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.296 -0.877 . . . . 0.0 110.415 -178.728 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.24 -39.51 21.57 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.001 -1.062 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.03 -39.39 85.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.367 -0.833 . . . . 0.0 109.073 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.34 -39.85 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.839 . . . . 0.0 109.681 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.0 -16.54 40.46 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.007 -1.058 . . . . 0.0 109.95 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 59.85 -137.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.738 179.781 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 24.8 t -86.36 -1.94 57.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 0.0 110.3 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.51 79.24 8.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.702 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.9 -25.6 63.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.898 . . . . 0.0 109.825 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.48 -40.49 91.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.051 -179.401 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.29 78.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -63.29 -40.08 96.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.978 . . . . 0.0 109.74 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.01 81.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.134 -0.979 . . . . 0.0 109.582 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.4 m -64.8 -39.98 94.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.191 -0.943 . . . . 0.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.67 -178.888 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -92.8 -2.42 55.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.131 -0.981 . . . . 0.0 109.015 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 52.12 46.6 26.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.404 -0.81 . . . . 0.0 109.978 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.18 151.41 44.23 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.33 -0.856 . . . . 0.0 109.463 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.6 Cg_endo -72.72 150.28 50.02 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.99 1.794 . . . . 0.0 111.493 179.326 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -40.66 -23.47 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.367 2.045 . . . . 0.0 113.025 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.06 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.958 -1.089 . . . . 0.0 110.552 -178.74 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.85 -38.21 28.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 109.652 -179.61 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.27 70.41 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.182 -0.949 . . . . 0.0 109.038 -179.448 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.86 -40.01 91.31 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 110.065 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.34 -39.99 92.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 110.347 -179.115 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.99 -40.64 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 107.901 -179.634 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.14 -39.9 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.392 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -59.44 -25.02 64.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.672 -0.643 . . . . 0.0 110.681 -179.602 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -92.65 -34.37 14.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.769 -1.207 . . . . 0.0 109.644 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.143 -0.973 . . . . 0.0 108.54 178.914 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -76.67 -35.21 58.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.147 -0.971 . . . . 0.0 110.931 -179.026 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.09 -40.02 75.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.069 -1.019 . . . . 0.0 110.778 -178.442 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -85.22 -1.12 56.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.911 -1.118 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.534 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 11.1 tp-100 -69.48 -57.82 4.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.059 -1.026 . . . . 0.0 109.531 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.2 mt -85.98 145.17 27.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.26 -0.9 . . . . 0.0 109.512 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.96 -40.11 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.397 -0.815 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.48 -105.73 0.27 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 56.3 mp0 -85.67 103.5 14.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.149 -1.206 . . . . 0.0 109.049 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.88 -10.04 59.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.368 -0.833 . . . . 0.0 110.108 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 14.5 ptp -78.36 130.99 36.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.106 -0.996 . . . . 0.0 109.582 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -90.04 -0.83 57.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.008 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.72 -159.5 53.66 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.83 137.43 36.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.192 -1.181 . . . . 0.0 109.774 -179.601 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.11 123.58 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.097 -1.002 . . . . 0.0 109.543 -179.87 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.07 138.55 36.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.723 0.773 . . . . 0.0 111.495 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.7 t0 -59.96 -39.99 87.52 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.37 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.6 -10.77 0.25 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 38.1 mt -60.02 -32.49 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.395 -1.062 . . . . 0.0 108.446 179.052 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.08 -39.16 85.13 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.27 -38.06 87.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.417 -0.802 . . . . 0.0 109.096 179.548 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.69 71.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.104 -0.997 . . . . 0.0 109.546 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.44 -0.03 57.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.091 -1.005 . . . . 0.0 110.744 -178.625 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.91 -46.03 42.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.797 -1.189 . . . . 0.0 108.963 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -40.02 87.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.454 -0.779 . . . . 0.0 109.45 179.273 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.297 -0.877 . . . . 0.0 109.756 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.21 -11.19 56.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.934 -1.104 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 58.99 -135.99 0.86 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.538 -0.726 . . . . 0.0 110.46 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -83.94 -4.53 58.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.564 -0.71 . . . . 0.0 110.561 -178.895 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.64 76.13 7.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.861 -1.149 . . . . 0.0 109.86 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.58 -24.71 62.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.952 . . . . 0.0 109.892 179.64 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.13 -40.08 92.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.993 . . . . 0.0 109.822 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.68 89.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.22 -42.25 99.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 0.0 109.359 179.46 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.05 79.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.067 -1.021 . . . . 0.0 109.818 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.4 t -65.49 -38.5 89.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.088 -179.604 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.56 -39.9 77.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.244 -0.91 . . . . 0.0 110.254 -179.348 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.64 0.23 56.41 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.096 -1.002 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.11 46.15 27.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.283 -0.886 . . . . 0.0 110.308 179.007 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.5 mt -115.52 152.71 47.41 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.469 -0.769 . . . . 0.0 109.356 -179.883 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 74.3 Cg_endo -74.01 149.99 42.63 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.052 1.835 . . . . 0.0 111.39 179.346 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -39.87 -23.77 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.414 2.076 . . . . 0.0 113.384 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.2 t -60.0 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.849 -1.157 . . . . 0.0 110.454 -178.664 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.92 -40.0 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.147 -0.97 . . . . 0.0 110.176 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.109 -0.995 . . . . 0.0 109.489 -179.25 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -60.02 -40.0 87.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.227 -0.92 . . . . 0.0 110.022 179.385 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.17 -39.94 92.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 0.0 110.441 -179.085 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.7 -41.63 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.877 -1.139 . . . . 0.0 108.494 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.01 -39.97 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.55 -26.01 65.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.721 -0.612 . . . . 0.0 110.405 -179.618 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -91.6 -33.99 14.89 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.645 -179.318 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.55 126.1 26.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 108.543 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.28 -34.05 61.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.45 -39.96 74.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.677 -178.722 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.4 1.12 49.97 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.837 -1.164 . . . . 0.0 109.565 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -77.07 -71.15 0.42 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.179 -0.95 . . . . 0.0 109.157 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.14 145.07 27.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.131 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -79.42 -7.87 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 108.761 178.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.98 -27.7 2.64 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.19 118.44 28.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.285 -1.126 . . . . 0.0 109.677 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.25 -13.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 0.0 109.613 179.646 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.9 mtt -79.72 -9.8 59.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.933 -179.3 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.87 151.12 26.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.055 -1.028 . . . . 0.0 109.486 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.32 -125.76 0.82 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -159.2 127.69 5.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -1.174 . . . . 0.0 109.622 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 54' ' ' VAL . 28.3 m -92.78 143.3 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.317 -0.864 . . . . 0.0 109.549 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.668 -179.831 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.03 138.61 36.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.43 -0.794 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.9 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.293 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 -10.78 0.25 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 37.6 mt -60.0 -32.54 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.286 -1.126 . . . . 0.0 108.381 179.085 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.04 -39.12 84.81 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.165 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.31 -38.12 88.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.426 -0.796 . . . . 0.0 109.092 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -34.71 71.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.218 -0.926 . . . . 0.0 109.494 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.26 -40.06 88.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -40.03 88.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.353 -0.842 . . . . 0.0 110.546 -179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.48 0.03 57.39 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.037 -1.039 . . . . 0.0 110.725 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -48.9 -46.09 42.29 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.864 -1.147 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.372 179.315 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.51 -39.98 89.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.162 -0.961 . . . . 0.0 109.792 -179.544 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.28 -11.13 56.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 109.227 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 58.87 -136.16 0.87 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.527 -0.733 . . . . 0.0 110.44 179.156 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.9 m -83.77 -4.51 58.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.509 -0.745 . . . . 0.0 110.65 -178.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.75 76.19 7.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.798 -179.237 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.52 -24.82 62.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.865 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.16 -39.92 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.79 88.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.201 -0.937 . . . . 0.0 109.364 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.16 -42.23 99.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 179.505 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.04 79.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 109.812 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -65.51 -38.53 89.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.045 -179.62 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.43 -40.12 77.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 0.0 110.256 -179.329 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -93.54 0.21 56.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.128 -0.983 . . . . 0.0 109.552 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 52.02 46.27 26.89 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.0 110.268 179.073 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.48 152.69 47.34 Favored Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.406 -0.808 . . . . 0.0 109.457 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' B' ' 31' ' ' VAL . 74.5 Cg_endo -73.89 150.01 43.27 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.116 1.877 . . . . 0.0 111.47 179.34 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.02 -23.41 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.325 2.016 . . . . 0.0 113.257 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.03 -52.75 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.86 -1.15 . . . . 0.0 110.546 -178.491 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.75 -39.97 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.172 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.9 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.485 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.99 -40.01 87.72 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.184 -0.948 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.17 -40.11 92.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.191 -0.943 . . . . 0.0 110.364 -179.035 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.52 -41.71 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.866 -1.146 . . . . 0.0 108.569 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.13 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 177.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -59.43 -26.14 64.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.755 -0.591 . . . . 0.0 110.407 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.5 m -91.74 -33.71 14.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.982 -1.074 . . . . 0.0 109.723 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.65 126.01 25.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.066 -1.021 . . . . 0.0 108.567 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -75.12 -34.08 61.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 110.183 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.37 -40.08 74.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.7 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.8 m -85.41 1.18 49.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.011 -1.056 . . . . 0.0 109.671 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.08 -71.14 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -1.0 . . . . 0.0 109.035 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 mt -86.12 145.07 27.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 0.0 109.199 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' B' ' 48' ' ' GLU . 63.1 mttm -79.44 -7.95 58.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.784 179.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.96 -27.57 2.65 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' B' ' 46' ' ' LYS . 96.0 mt-10 -89.24 118.43 28.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -1.052 . . . . 0.0 109.697 179.673 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.16 -13.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 179.565 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.9 mtt -79.44 -10.05 59.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 0.0 110.001 -179.325 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -82.26 151.06 26.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.992 -1.068 . . . . 0.0 109.533 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.29 -125.71 0.81 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -159.25 127.64 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.174 -1.192 . . . . 0.0 109.619 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.9 m -92.77 143.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.303 -0.873 . . . . 0.0 109.634 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 46.4 t0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.551 -179.752 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.743 0.782 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -94.45 145.8 24.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.559 -0.713 . . . . 0.0 110.288 -179.572 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.01 -39.91 87.43 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.876 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.56 -17.96 0.31 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.265 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' ASP . 78.7 mt -60.09 -40.81 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.473 -1.016 . . . . 0.0 108.775 179.035 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.22 -40.06 92.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -66.31 -37.77 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.86 71.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.391 -0.818 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -42.03 93.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 108.931 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.61 -39.99 95.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.568 -0.708 . . . . 0.0 109.933 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.82 8.5 40.92 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.339 -0.851 . . . . 0.0 110.01 -178.7 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.39 -47.03 56.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.186 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -37.21 81.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 109.766 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -60.47 -36.98 79.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.21 -15.59 49.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.827 -1.171 . . . . 0.0 109.697 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 57.64 -136.95 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.405 -0.809 . . . . 0.0 109.755 179.724 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -83.01 -5.99 59.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.98 -179.709 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -81.08 72.75 8.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.066 -1.021 . . . . 0.0 109.673 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -23.97 63.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.0 -40.32 88.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.215 -0.928 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.23 89.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.101 -0.999 . . . . 0.0 109.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 ttp -62.94 -42.27 99.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.917 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.39 -40.04 85.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 t -67.03 -38.34 85.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.264 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.95 -40.13 79.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.164 -0.96 . . . . 0.0 109.933 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.82 -0.75 47.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.25 -0.906 . . . . 0.0 109.071 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 m120 51.97 49.3 21.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 0.0 109.973 179.53 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.32 125.68 27.99 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.558 -0.714 . . . . 0.0 109.9 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 88.5 Cg_exo -46.91 149.11 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.505 1.47 . . . . 0.0 111.622 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.41 -20.72 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.422 2.081 . . . . 0.0 113.395 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.0 -52.55 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.753 -1.217 . . . . 0.0 111.188 -178.01 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -72.31 -39.95 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.035 -1.04 . . . . 0.0 110.675 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.92 83.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.975 -1.078 . . . . 0.0 108.923 -178.944 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.03 -40.02 87.91 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 109.774 178.692 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.32 -40.49 97.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 110.339 -179.092 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -41.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.19 -40.03 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 177.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.562 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.63 -18.3 58.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.667 -0.646 . . . . 0.0 109.962 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -93.4 -37.46 11.97 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.857 -1.152 . . . . 0.0 109.223 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.6 t -60.09 130.72 48.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 108.807 179.173 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.97 -26.16 48.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 109.968 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -42.99 62.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.983 . . . . 0.0 110.173 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.5 -3.52 58.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.995 -1.066 . . . . 0.0 110.272 -179.549 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.8 tp-100 -70.03 -59.96 2.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.04 -1.037 . . . . 0.0 109.81 -179.543 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.22 145.39 25.91 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.202 -0.936 . . . . 0.0 109.072 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.5 -9.97 59.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.132 179.609 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -14.94 57.83 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.519 ' OE2' ' CD2' ' A' ' 51' ' ' HIS . 86.1 tt0 -80.17 -35.41 36.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -1.2 . . . . 0.0 109.014 179.786 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 32.1 -98.0 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.242 0.544 . . . . 0.0 111.559 179.676 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 ttt -80.3 130.74 35.4 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.325 -0.859 . . . . 0.0 110.594 -179.149 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 67.3 m80 -80.89 -35.03 33.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.283 -0.886 . . . . 0.0 109.528 179.445 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.17 15.95 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -81.21 135.39 35.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.221 -1.164 . . . . 0.0 109.748 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.17 -73.79 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.332 -0.855 . . . . 0.0 109.818 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.366 -179.552 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.631 0.729 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.34 145.8 24.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.626 -0.671 . . . . 0.0 110.332 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 178.909 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.37 -18.14 0.3 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' B' ' 3' ' ' ASP . 78.2 mt -60.06 -40.83 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.389 -1.065 . . . . 0.0 108.742 179.123 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.24 -39.96 92.25 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.499 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.44 -37.62 85.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.42 -0.8 . . . . 0.0 108.968 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.76 71.59 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 0.0 109.396 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.99 -42.09 93.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.52 -40.0 95.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.558 -0.714 . . . . 0.0 109.929 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.81 8.53 40.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.394 -0.816 . . . . 0.0 109.962 -178.671 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -50.32 -47.03 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 179.59 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.93 -37.25 81.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.543 -0.723 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -60.36 -37.09 79.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 -179.051 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.94 -15.67 50.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.944 -1.098 . . . . 0.0 109.776 -179.258 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 57.62 -137.24 0.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.391 -0.818 . . . . 0.0 109.716 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -82.74 -6.04 59.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 110.04 -179.69 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.07 72.75 8.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.975 -1.078 . . . . 0.0 109.559 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -70.0 -23.95 63.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.148 -0.97 . . . . 0.0 109.352 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.13 -40.25 89.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.11 89.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 49.1 ttp -63.03 -42.19 99.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.96 179.908 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.46 -40.06 85.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.553 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -66.97 -38.38 85.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.443 -0.785 . . . . 0.0 110.306 -179.481 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.04 -40.06 78.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.967 . . . . 0.0 109.917 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.85 -0.77 47.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 109.0 179.399 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.8 m-20 52.06 49.21 21.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.946 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -117.23 125.65 28.03 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' B' ' 31' ' ' VAL . 89.1 Cg_exo -46.88 149.23 3.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.485 1.457 . . . . 0.0 111.61 178.937 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.61 -20.64 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.337 2.024 . . . . 0.0 113.336 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.5 t -60.04 -52.6 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.757 -1.215 . . . . 0.0 111.178 -178.008 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.98 -40.08 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.799 -1.188 . . . . 0.0 110.79 -178.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.07 83.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 108.962 -178.898 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.95 -40.05 87.67 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.727 178.721 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.36 -40.04 96.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.26 -179.144 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.72 -41.24 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.815 -1.178 . . . . 0.0 107.831 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.47 -40.0 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -61.53 -19.14 61.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.731 -0.606 . . . . 0.0 109.961 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -92.47 -37.21 12.66 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.05 -1.032 . . . . 0.0 109.353 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.18 130.88 48.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 108.865 179.129 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.14 -26.23 47.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -0.998 . . . . 0.0 109.863 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -43.03 62.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.978 . . . . 0.0 110.231 -179.225 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -84.44 -3.45 58.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.014 -1.053 . . . . 0.0 110.217 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 8.5 tp-100 -70.06 -60.03 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.028 -1.045 . . . . 0.0 109.866 -179.517 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.11 145.29 26.02 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.288 -0.883 . . . . 0.0 109.119 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.31 -9.98 59.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 0.0 109.215 179.595 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -15.19 56.86 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.518 ' OE2' ' CD2' ' B' ' 51' ' ' HIS . 86.0 tt0 -79.73 -35.57 38.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -1.16 . . . . 0.0 109.055 179.728 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 31.97 -98.35 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.293 0.568 . . . . 0.0 111.523 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.8 ttt -79.81 131.16 35.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.53 -179.085 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.518 ' CD2' ' OE2' ' B' ' 48' ' ' GLU . 67.3 m80 -81.39 -34.46 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.235 -0.916 . . . . 0.0 109.586 179.383 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.32 179.12 16.01 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -81.27 135.2 35.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.182 -1.187 . . . . 0.0 109.889 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.5 t -89.95 -73.94 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.401 -0.812 . . . . 0.0 109.821 179.896 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.389 -179.483 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.0 mt -101.25 140.07 36.06 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.622 0.725 . . . . 0.0 111.263 -178.701 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -60.07 -39.67 86.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.419 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.99 -12.36 0.15 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.349 -1.501 . . . . 0.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.0 mt -59.94 -33.2 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.384 -1.068 . . . . 0.0 108.322 178.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.97 -38.94 83.98 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.654 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.17 -39.42 92.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.459 -0.775 . . . . 0.0 109.361 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.43 70.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 109.759 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.19 -40.8 91.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.956 -1.09 . . . . 0.0 109.305 179.66 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.99 -39.94 91.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.428 -0.795 . . . . 0.0 109.904 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -91.18 0.54 57.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.323 -0.861 . . . . 0.0 110.602 -178.878 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.71 -44.97 38.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.599 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.45 -36.24 77.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.253 -0.905 . . . . 0.0 110.066 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.3 -37.31 87.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 0.0 109.923 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.65 -11.93 46.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.936 -1.103 . . . . 0.0 109.227 179.885 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 m80 57.97 -138.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.605 -0.684 . . . . 0.0 110.167 179.287 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.44 -0.84 51.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.046 -179.342 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.61 76.69 7.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.005 . . . . 0.0 109.572 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -26.93 64.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.929 . . . . 0.0 109.954 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -40.05 88.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 110.073 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.1 86.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.7 ttp -63.19 -40.37 97.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.308 -0.87 . . . . 0.0 109.611 179.812 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.06 -40.02 83.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.047 -1.033 . . . . 0.0 109.626 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -68.71 -34.4 75.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.199 -0.938 . . . . 0.0 109.894 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -69.66 -43.42 72.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.178 -0.951 . . . . 0.0 109.593 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.78 -0.26 54.34 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.454 -0.779 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.5 m120 51.39 48.56 22.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.0 109.871 179.726 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 mt -115.81 150.77 45.46 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.677 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.47 153.32 49.87 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.06 1.84 . . . . 0.0 112.048 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -41.01 -26.9 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.663 2.242 . . . . 0.0 113.437 179.662 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -49.95 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.872 -1.143 . . . . 0.0 110.515 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.37 -40.89 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 110.001 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.99 71.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.138 -0.976 . . . . 0.0 109.575 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.08 -39.88 87.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 179.169 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.68 -40.43 92.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 -179.451 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.73 -41.39 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.027 -1.046 . . . . 0.0 108.435 -179.873 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.6 -40.1 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.308 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -20.82 56.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -47.24 8.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.925 -1.109 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.67 130.05 44.94 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.21 -28.54 42.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 110.399 -179.009 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.89 -45.32 51.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.093 -1.005 . . . . 0.0 110.818 -178.85 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 -27.46 54.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.924 -1.11 . . . . 0.0 109.954 -179.436 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -78.98 -69.57 0.56 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.965 . . . . 0.0 108.896 179.739 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.82 157.97 26.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.376 -0.828 . . . . 0.0 109.202 179.832 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -82.0 -3.38 54.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.36 -0.837 . . . . 0.0 108.773 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -114.72 5.1 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -88.89 101.79 14.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.146 -1.208 . . . . 0.0 109.551 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 0.0 109.583 179.608 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.7 mtm -74.51 129.05 37.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.138 -0.976 . . . . 0.0 109.761 -179.168 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.29 162.83 40.94 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.367 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 54' ' ' VAL . . . -162.05 5.9 0.09 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.8 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 40.23 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.897 -0.766 . . . . 0.0 110.83 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.5 m -93.26 143.15 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.781 -1.199 . . . . 0.0 109.944 -179.707 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 18.6 p-10 . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.4 179.584 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 mt -101.19 139.96 36.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.537 -0.727 . . . . 0.0 111.367 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.9 m-20 -59.98 -39.75 86.76 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.2 -12.24 0.16 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 38.6 mt -59.93 -33.23 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.327 -1.102 . . . . 0.0 108.291 178.908 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.9 -39.01 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 11' ' ' GLU . 64.6 tttm -62.04 -39.44 92.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.525 -0.735 . . . . 0.0 109.413 179.707 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -34.54 71.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.0 109.742 -179.604 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.12 -40.62 90.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.01 -40.03 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.473 -0.767 . . . . 0.0 109.897 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 7' ' ' LYS . 97.7 mt-10 -91.29 0.68 57.48 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.303 -0.873 . . . . 0.0 110.476 -178.794 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.9 -44.76 40.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.644 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.49 -36.43 78.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.943 . . . . 0.0 109.942 179.639 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.32 -37.18 86.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.138 -0.976 . . . . 0.0 109.964 -179.025 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -87.73 -12.13 46.14 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.942 -1.099 . . . . 0.0 109.115 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 58.18 -138.59 0.84 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.633 . . . . 0.0 110.037 179.226 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.39 -0.87 51.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 110.046 -179.242 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.55 76.71 7.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.624 -179.593 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.08 -26.98 64.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.863 179.774 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.131 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.21 86.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.089 -1.007 . . . . 0.0 109.405 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 51.6 ttp -63.09 -40.34 97.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.636 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.06 -40.06 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.113 . . . . 0.0 109.597 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t -68.73 -34.32 75.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.285 -0.884 . . . . 0.0 109.926 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.64 -43.55 72.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.636 -179.249 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.86 -0.25 54.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.525 -0.735 . . . . 0.0 109.348 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 85.4 m-20 51.46 48.53 22.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.213 -0.93 . . . . 0.0 109.872 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -115.81 150.82 45.55 Favored Pre-proline 0 N--CA 1.5 2.048 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.5 153.25 49.68 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.088 1.859 . . . . 0.0 111.966 179.84 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.98 -26.81 0.28 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.634 2.223 . . . . 0.0 113.386 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -49.91 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 110.648 -178.353 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.47 -40.74 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 110.024 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.83 72.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.97 . . . . 0.0 109.561 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.04 -39.97 87.78 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.65 179.143 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.73 -40.43 92.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.062 -179.435 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.78 -41.54 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.975 -1.078 . . . . 0.0 108.448 -179.917 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.47 -39.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.268 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -20.79 56.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.508 -0.745 . . . . 0.0 109.897 -179.899 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.37 -47.14 9.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.08 -1.012 . . . . 0.0 108.995 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.84 129.82 43.73 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.88 -28.83 44.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.031 -1.043 . . . . 0.0 110.364 -179.077 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.94 -45.05 52.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.027 -1.046 . . . . 0.0 110.892 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.7 m -77.15 -27.22 53.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.93 -1.106 . . . . 0.0 109.95 -179.491 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -79.25 -69.56 0.57 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.19 -0.944 . . . . 0.0 108.863 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt -79.93 157.8 26.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.836 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.83 -3.41 53.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.75 -114.99 5.18 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -88.62 101.88 14.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.249 -1.147 . . . . 0.0 109.542 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.67 -2.7 40.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.198 -0.939 . . . . 0.0 109.494 179.59 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -74.22 129.23 37.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.067 -1.02 . . . . 0.0 109.826 -179.233 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.26 162.75 40.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.456 -0.777 . . . . 0.0 108.911 179.285 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' B' ' 54' ' ' VAL . . . -162.0 5.92 0.09 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.758 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 40.1 -86.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.758 -0.848 . . . . 0.0 110.767 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' B' ' 52' ' ' GLY . 19.7 m -93.11 143.28 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.824 -1.172 . . . . 0.0 109.927 -179.68 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 18.8 p-10 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.381 179.59 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 90.5 mt -103.99 147.49 27.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.485 0.659 . . . . 0.0 110.098 -179.819 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 94.1 m-20 -59.96 -39.99 87.49 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.638 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.83 -18.94 0.14 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.4 mt -60.1 -41.44 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.601 -0.941 . . . . 0.0 109.307 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.078 -1.014 . . . . 0.0 108.534 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.51 -38.96 92.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.509 -0.744 . . . . 0.0 109.168 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.46 77.57 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.184 -0.948 . . . . 0.0 109.187 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -44.6 94.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.165 -0.959 . . . . 0.0 109.576 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 110.322 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.91 9.55 38.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 109.94 -179.036 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -47.01 -40.6 14.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.146 -0.971 . . . . 0.0 109.719 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.6 mt-10 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 0.0 110.09 179.799 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.1 -39.83 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.973 . . . . 0.0 110.184 -178.866 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -84.65 -23.6 29.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 109.572 -179.655 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 97.9 m-70 56.92 -127.19 1.87 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.404 -0.81 . . . . 0.0 109.878 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -88.6 -0.53 57.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.217 -0.927 . . . . 0.0 110.186 -179.37 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.05 73.52 6.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 109.639 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -69.95 -25.77 63.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.32 -40.82 91.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.096 -1.002 . . . . 0.0 110.317 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.9 88.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 108.811 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 36' ' ' ILE . 36.5 ttm -59.99 -47.57 85.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.716 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -58.79 -39.99 82.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.138 -0.976 . . . . 0.0 109.263 -179.715 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.0 m -64.27 -39.83 94.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.492 -0.755 . . . . 0.0 110.173 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.75 69.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.305 -178.588 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.67 -0.01 56.26 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.283 -0.885 . . . . 0.0 109.679 -179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.61 48.09 22.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.31 -0.869 . . . . 0.0 110.642 178.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.3 mt -120.83 152.42 56.07 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.461 -0.775 . . . . 0.0 108.932 179.626 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.04 157.93 58.25 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.8 1.667 . . . . 0.0 111.75 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -44.19 -21.18 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.513 2.142 . . . . 0.0 112.663 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -49.99 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.57 -42.57 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.904 -1.123 . . . . 0.0 111.021 -178.79 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.14 74.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.81 -1.181 . . . . 0.0 109.411 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.11 -39.97 88.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.205 -0.934 . . . . 0.0 110.018 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.39 -39.9 94.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 110.194 -179.127 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 22' ' ' MET . 81.3 mt -60.52 -40.49 84.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.735 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.01 -39.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.319 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.21 19.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.59 -0.694 . . . . 0.0 109.652 -179.855 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -88.22 -46.27 9.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.027 . . . . 0.0 109.123 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.07 128.19 35.57 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 108.74 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.52 -23.22 46.39 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.083 -1.011 . . . . 0.0 109.812 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.07 -49.28 14.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.276 -0.89 . . . . 0.0 111.029 -179.569 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -77.48 -24.93 50.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 111.213 -178.333 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.65 -41.77 75.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.804 -1.185 . . . . 0.0 110.347 -178.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.9 mt -87.44 141.48 28.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 0.0 109.357 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.12 -69.98 0.55 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 0.0 108.918 179.619 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.21 80.77 0.51 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' HIS . 85.0 mt-10 -145.73 0.96 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -1.131 . . . . 0.0 108.67 179.319 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 50' ' ' MET . . . -76.31 161.16 28.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 1.6 tpt 77.82 -18.45 0.5 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.793 -0.567 . . . . 0.0 109.852 179.589 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLU . 40.1 p-80 -154.19 160.02 41.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.109 -0.994 . . . . 0.0 109.616 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.65 53.51 0.04 OUTLIER Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.029 -1.628 . . . . 0.0 109.029 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -79.95 147.86 31.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -1.107 . . . . 0.0 109.015 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.82 119.44 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.331 -179.893 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.408 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 90.9 mt -104.11 147.56 27.28 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.546 0.688 . . . . 0.0 109.978 -179.682 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.0 m-20 -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.77 -19.08 0.14 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 3' ' ' ASP . 76.5 mt -60.0 -41.52 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.401 -1.058 . . . . 0.0 109.361 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -60.01 -39.91 87.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -0.996 . . . . 0.0 108.571 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.61 -38.99 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.555 -0.715 . . . . 0.0 109.228 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.5 77.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.863 . . . . 0.0 109.221 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.95 -44.7 94.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.02 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.77 -39.98 90.8 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.813 . . . . 0.0 110.375 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.82 9.52 38.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.136 -0.978 . . . . 0.0 109.959 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t -47.03 -40.49 14.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.809 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.5 mt-10 -60.11 -39.82 87.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.895 . . . . 0.0 110.031 179.888 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.17 -39.94 88.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 110.138 -178.859 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.66 -23.49 29.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.928 -1.108 . . . . 0.0 109.585 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 97.9 m-70 56.86 -127.47 1.87 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.48 -0.763 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -88.28 -0.58 57.29 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.206 -0.934 . . . . 0.0 110.255 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.02 73.53 6.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.989 -1.069 . . . . 0.0 109.658 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -70.09 -25.59 63.59 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.22 -0.925 . . . . 0.0 109.602 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.63 -40.68 92.83 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.106 -0.997 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 88.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.879 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.428 ' SD ' HD12 ' B' ' 36' ' ' ILE . 36.8 ttm -59.98 -47.71 84.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 0.0 109.683 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -58.77 -39.98 82.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.179 -179.7 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 64.8 m -64.14 -39.86 94.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.79 69.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.184 -0.947 . . . . 0.0 110.314 -178.627 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.64 0.01 56.32 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.207 -0.933 . . . . 0.0 109.637 -179.715 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.9 m-20 53.51 48.1 22.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.338 -0.851 . . . . 0.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 30.9 mt -120.85 152.36 56.04 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.94 158.0 58.18 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.881 1.721 . . . . 0.0 111.687 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -44.27 -21.26 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.387 2.058 . . . . 0.0 112.728 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -49.99 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -75.27 -42.52 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.7 -1.25 . . . . 0.0 111.075 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.23 74.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.729 -1.232 . . . . 0.0 109.413 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.213 -0.929 . . . . 0.0 110.015 179.182 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.29 -40.18 95.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.168 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.428 HD12 ' SD ' ' B' ' 22' ' ' MET . 81.0 mt -60.42 -40.01 82.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.39 -39.93 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.417 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.46 -20.37 19.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 109.679 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.9 m -87.99 -46.48 9.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.132 -0.98 . . . . 0.0 109.12 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.0 128.17 35.51 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.256 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.43 -23.32 46.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.636 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.14 -49.21 14.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.182 -0.949 . . . . 0.0 111.085 -179.572 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.6 m -77.23 -25.15 51.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.168 -0.958 . . . . 0.0 111.253 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -69.4 -42.06 75.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.827 -1.171 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -87.33 141.48 28.6 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.099 -1.0 . . . . 0.0 109.389 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.0 -69.93 0.55 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.119 -0.988 . . . . 0.0 109.003 179.621 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 80.68 0.51 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 51' ' ' HIS . 85.4 mt-10 -145.79 1.06 0.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.305 -1.115 . . . . 0.0 108.696 179.316 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' B' ' 50' ' ' MET . . . -76.38 161.26 28.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.828 . . . . 0.0 110.123 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 1.6 tpt 77.64 -18.73 0.48 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.63 -0.669 . . . . 0.0 109.862 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' B' ' 48' ' ' GLU . 40.2 p-80 -153.76 160.26 42.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.556 179.794 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.47 53.33 0.04 OUTLIER Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -79.81 147.96 31.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -1.129 . . . . 0.0 109.047 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.9 119.42 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.112 -0.993 . . . . 0.0 109.083 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.408 -179.82 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.99 139.86 33.2 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.705 0.764 . . . . 0.0 110.725 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.8 m-20 -59.99 -39.28 85.19 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -14.92 0.08 OUTLIER Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' ASP . 36.1 mt -58.47 -35.0 52.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.33 -0.856 . . . . 0.0 109.057 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 108.969 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.97 74.86 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 0.0 109.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -60.1 -39.95 87.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.196 -0.94 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.398 -0.814 . . . . 0.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -93.34 3.86 54.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.178 -0.951 . . . . 0.0 110.449 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -48.95 -41.99 35.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.937 -1.102 . . . . 0.0 109.189 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.3 tt0 -60.06 -39.98 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.208 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.11 -39.98 92.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.775 . . . . 0.0 109.65 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -87.32 -14.49 40.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.002 . . . . 0.0 109.487 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 67.5 m-70 58.08 -134.68 1.05 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 0.0 110.56 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -86.11 -0.14 54.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 110.172 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.77 75.57 6.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.014 -1.054 . . . . 0.0 109.321 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.98 -27.2 64.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.306 -0.871 . . . . 0.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.01 -40.99 91.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.975 . . . . 0.0 109.881 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.9 81.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.428 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.8 ttp -63.54 -40.49 97.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.195 -0.941 . . . . 0.0 109.762 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.55 -40.1 82.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.919 -1.113 . . . . 0.0 109.219 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.7 m -65.21 -40.0 93.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.443 -0.786 . . . . 0.0 110.146 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -68.58 -40.0 80.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.152 -0.968 . . . . 0.0 110.019 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.81 -1.7 45.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.744 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.8 m120 51.03 47.92 24.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.176 -0.952 . . . . 0.0 110.495 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -114.37 151.42 45.09 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.454 -0.779 . . . . 0.0 109.114 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.7 Cg_endo -70.09 149.33 64.61 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.881 1.721 . . . . 0.0 111.535 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.25 -22.89 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.133 1.888 . . . . 0.0 112.526 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -60.02 -53.17 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.001 . . . . 0.0 110.073 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.16 -40.01 57.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.216 -0.927 . . . . 0.0 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.8 68.1 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.1 -1.0 . . . . 0.0 109.358 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.04 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.045 -1.034 . . . . 0.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 16.1 tm-20 -62.12 -40.0 94.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.804 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.02 -40.1 82.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.12 -40.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.14 -19.74 63.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.868 -0.52 . . . . 0.0 110.717 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.4 m -95.3 -35.12 11.92 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.942 -1.099 . . . . 0.0 109.734 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -59.99 133.6 56.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.927 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.07 -27.69 48.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 110.483 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.31 -43.1 34.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.952 -1.093 . . . . 0.0 110.868 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -85.55 1.13 50.3 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -0.984 . . . . 0.0 110.979 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -62.89 -49.98 72.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.908 -1.12 . . . . 0.0 109.576 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.19 -0.944 . . . . 0.0 109.425 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -97.95 139.93 33.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.41 -0.806 . . . . 0.0 110.665 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.0 m-20 -60.04 -39.31 85.47 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.57 -14.89 0.08 OUTLIER Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' B' ' 3' ' ' ASP . 36.3 mt -58.5 -35.0 52.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.96 -40.06 87.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.058 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.97 -39.94 95.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 108.974 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.13 74.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.0 88.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.817 . . . . 0.0 110.355 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -93.37 3.93 54.81 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.094 -1.004 . . . . 0.0 110.454 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.94 -42.14 36.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.87 -1.144 . . . . 0.0 109.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.447 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.423 -0.798 . . . . 0.0 109.252 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.462 -0.774 . . . . 0.0 109.713 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -87.13 -14.6 40.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.077 -1.015 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 67.2 m-70 58.12 -134.57 1.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.404 -0.81 . . . . 0.0 110.585 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -86.14 -0.22 55.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.17 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.76 75.73 6.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.04 . . . . 0.0 109.3 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.99 -27.32 64.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.831 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.91 81.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.194 -0.941 . . . . 0.0 109.436 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.47 -40.41 97.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.61 -40.12 82.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.005 -1.059 . . . . 0.0 109.155 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.1 m -65.17 -40.05 93.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.45 -0.781 . . . . 0.0 110.139 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.61 -39.94 80.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 110.018 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -96.87 -1.7 45.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.0 109.663 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.9 m120 51.04 47.96 23.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.194 -0.942 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -114.42 151.4 45.12 Favored Pre-proline 0 N--CA 1.501 2.081 0 O-C-N 121.412 -0.805 . . . . 0.0 109.106 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.5 Cg_endo -70.1 149.38 64.61 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.874 1.716 . . . . 0.0 111.577 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -41.28 -22.88 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.114 1.876 . . . . 0.0 112.527 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 29' ' ' PRO . 79.6 t -60.08 -53.17 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.098 -1.002 . . . . 0.0 110.076 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.1 -39.93 57.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.262 -0.899 . . . . 0.0 109.889 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.83 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.176 -0.953 . . . . 0.0 109.404 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.12 -39.94 88.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.017 . . . . 0.0 109.591 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 16.1 tm-20 -62.17 -39.99 94.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.357 -0.839 . . . . 0.0 110.756 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.97 -40.06 81.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 107.961 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.08 -40.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 -19.64 63.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.869 -0.519 . . . . 0.0 110.728 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 62.6 m -95.2 -35.19 11.94 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.935 -1.103 . . . . 0.0 109.819 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.3 t -59.97 133.54 56.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.246 -0.908 . . . . 0.0 108.999 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.04 -27.78 48.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 110.477 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -77.21 -43.11 34.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 0.0 110.918 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.57 0.95 51.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.128 -0.982 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.8 -49.97 72.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 109.562 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.449 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -101.17 137.89 38.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.774 . . . . 0.0 110.894 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 64.2 t0 -59.96 -38.34 82.19 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.01 -9.6 0.22 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 25.6 mt -58.36 -34.38 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -1.109 . . . . 0.0 108.433 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.413 ' HA ' HE21 ' A' ' 9' ' ' GLN . 60.2 t0 -60.12 -39.6 86.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.132 -0.98 . . . . 0.0 108.906 178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.18 -37.4 80.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.448 -0.783 . . . . 0.0 109.525 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.17 72.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 6' ' ' ASP . 35.9 mt-30 -59.99 -40.09 87.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.021 -1.05 . . . . 0.0 109.72 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.89 -39.95 91.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -95.05 2.37 55.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.131 -0.98 . . . . 0.0 110.525 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.25 -44.19 53.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.904 -1.122 . . . . 0.0 110.174 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.18 -0.95 . . . . 0.0 109.636 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.15 -35.09 77.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 109.762 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -86.88 -12.84 46.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.027 -1.046 . . . . 0.0 109.688 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 58.93 -139.48 0.75 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.18 0.44 51.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.27 -0.894 . . . . 0.0 110.21 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 82.66 6.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -71.52 -23.86 61.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 109.401 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.04 -40.13 88.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.962 . . . . 0.0 110.178 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.76 92.42 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.038 -1.039 . . . . 0.0 108.558 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.2 ttm -60.09 -46.15 90.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.8 . . . . 0.0 109.192 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.55 -39.99 85.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.486 -0.759 . . . . 0.0 109.793 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -67.6 -40.02 84.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 110.697 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -98.72 0.62 44.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.281 -0.887 . . . . 0.0 109.277 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ALA . 16.0 m120 52.84 41.46 31.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.774 . . . . 0.0 110.316 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 44.8 mt -108.58 151.72 41.78 Favored Pre-proline 0 N--CA 1.501 2.095 0 O-C-N 121.282 -0.886 . . . . 0.0 109.414 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.2 152.76 56.45 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.86 1.706 . . . . 0.0 111.734 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -42.49 -23.33 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.236 1.957 . . . . 0.0 112.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.041 -1.037 . . . . 0.0 110.223 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.69 -43.15 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 110.767 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.41 77.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.93 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.34 -40.09 92.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.116 -0.99 . . . . 0.0 109.607 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.23 -39.98 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.062 -1.024 . . . . 0.0 108.452 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.69 -40.21 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -63.03 -16.25 59.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.628 -0.67 . . . . 0.0 109.883 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -95.05 -37.61 11.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.094 -1.004 . . . . 0.0 109.81 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.1 133.03 55.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.094 -1.004 . . . . 0.0 108.889 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.34 -28.64 47.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.161 -0.962 . . . . 0.0 109.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.6 64.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 110.457 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.37 2.19 51.1 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.993 -1.067 . . . . 0.0 110.483 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.04 -70.07 0.51 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 109.348 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.3 -1.555 0 O-C-N 121.445 -0.784 . . . . 0.0 109.899 -179.189 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.18 137.92 38.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 5' ' ' ILE . 64.2 t0 -59.99 -38.38 82.43 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 -9.58 0.22 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' B' ' 3' ' ' ASP . 25.6 mt -58.29 -34.47 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.331 -1.099 . . . . 0.0 108.584 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.424 ' HA ' HE21 ' B' ' 9' ' ' GLN . 60.4 t0 -59.89 -39.69 86.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 0.0 108.86 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.28 -37.38 80.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.429 -0.794 . . . . 0.0 109.495 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.04 72.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.521 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.424 HE21 ' HA ' ' B' ' 6' ' ' ASP . 35.8 mt-30 -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.985 -1.072 . . . . 0.0 109.724 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.91 -40.07 91.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.283 -0.886 . . . . 0.0 110.443 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -94.94 2.41 55.38 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.094 -1.004 . . . . 0.0 110.682 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.4 -44.06 54.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 110.232 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -0.92 . . . . 0.0 109.644 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.17 -34.92 77.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.704 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -87.05 -12.86 46.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.971 -1.081 . . . . 0.0 109.703 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 58.96 -139.57 0.74 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.391 -0.818 . . . . 0.0 110.068 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.04 0.24 52.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.91 82.79 5.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.089 . . . . 0.0 109.817 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -71.51 -23.96 61.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.88 -40.15 87.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.042 -1.036 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.8 92.62 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 108.625 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.506 ' SD ' HD12 ' B' ' 36' ' ' ILE . 34.1 ttm -60.02 -46.0 90.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.47 -0.769 . . . . 0.0 109.345 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.78 -39.98 86.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.65 -39.93 84.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 110.726 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.0 -39.96 75.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -0.922 . . . . 0.0 110.335 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -98.78 0.55 44.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 0.0 109.229 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 16.0 m120 52.96 41.36 32.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.768 . . . . 0.0 110.354 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 44.9 mt -108.54 151.55 41.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.12 152.79 56.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.792 1.661 . . . . 0.0 111.634 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.41 -23.37 0.29 Allowed 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.221 1.948 . . . . 0.0 112.734 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -50.0 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.043 -1.036 . . . . 0.0 110.305 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -42.91 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.948 -1.095 . . . . 0.0 110.795 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.187 -0.946 . . . . 0.0 109.983 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.21 -40.03 92.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.595 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.24 -40.18 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.017 -1.052 . . . . 0.0 108.458 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -62.95 -16.35 59.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.654 -0.654 . . . . 0.0 109.852 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -94.93 -37.79 11.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.994 -1.066 . . . . 0.0 109.827 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.96 133.12 55.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.133 -0.98 . . . . 0.0 108.81 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.48 -28.62 46.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.096 -1.002 . . . . 0.0 109.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.59 64.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 110.507 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.29 2.05 51.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.083 -1.011 . . . . 0.0 110.52 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.465 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.1 tp60 -77.99 -70.02 0.51 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.914 -1.116 . . . . 0.0 109.409 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.451 -0.78 . . . . 0.0 109.909 -179.27 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.68 0.752 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.66 143.08 31.24 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.586 0.708 . . . . 0.0 110.644 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 67.0 t0 -60.0 -39.32 85.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.63 -13.31 0.16 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.5 mt -59.9 -39.77 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.285 -1.127 . . . . 0.0 108.222 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -39.96 87.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.79 -39.99 95.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.692 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.55 -41.98 95.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.102 -0.999 . . . . 0.0 110.448 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.74 -40.01 93.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.0 110.112 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -95.55 7.75 45.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.328 -0.858 . . . . 0.0 110.42 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -50.6 -44.92 57.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.893 -1.129 . . . . 0.0 109.383 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.98 -37.39 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.42 -39.43 87.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.0 110.191 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -84.35 -17.87 38.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.003 -1.061 . . . . 0.0 109.773 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m80 58.04 -126.58 1.58 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.427 -0.795 . . . . 0.0 110.714 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 t -86.79 -3.68 59.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.423 -0.798 . . . . 0.0 110.829 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.07 72.42 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.793 -1.192 . . . . 0.0 109.736 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -69.91 -25.31 63.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.088 -1.007 . . . . 0.0 108.471 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.17 -40.17 88.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.795 . . . . 0.0 109.662 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.89 92.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 109.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 36' ' ' ILE . 27.7 ttm -59.94 -47.03 87.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.869 . . . . 0.0 109.706 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -59.74 -41.51 91.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.99 -1.069 . . . . 0.0 109.451 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 m -64.78 -37.2 86.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 0.0 110.073 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 110.169 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -98.45 0.07 44.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.281 -0.887 . . . . 0.0 109.395 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.7 m120 54.69 45.57 26.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.493 -0.754 . . . . 0.0 110.59 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.615 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.6 mt -118.36 150.01 47.02 Favored Pre-proline 0 N--CA 1.501 2.119 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.7 Cg_endo -70.53 157.43 58.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.982 1.788 . . . . 0.0 112.202 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -42.08 -21.47 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.59 2.193 . . . . 0.0 112.794 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.97 -50.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.94 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -75.33 -43.0 43.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 110.307 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.02 83.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.038 -1.039 . . . . 0.0 109.714 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.0 -40.05 87.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.244 -0.91 . . . . 0.0 109.11 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.21 -40.01 96.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.091 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.98 -40.35 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.968 -1.083 . . . . 0.0 108.301 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.45 -19.32 63.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.7 -0.625 . . . . 0.0 110.256 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -95.36 -34.07 12.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.088 -1.008 . . . . 0.0 110.247 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.95 136.41 58.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.955 -1.09 . . . . 0.0 109.044 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.88 -39.99 61.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.938 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.79 -39.99 72.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.043 -1.036 . . . . 0.0 111.656 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.27 0.43 41.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.739 -1.226 . . . . 0.0 110.438 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.54 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.3 tp-100 -78.9 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 109.547 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 -179.623 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.57 143.01 31.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.493 0.663 . . . . 0.0 110.607 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' B' ' 5' ' ' ILE . 66.7 t0 -59.99 -39.19 84.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 -13.13 0.17 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.6 mt -59.93 -39.87 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.298 -1.119 . . . . 0.0 108.101 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.86 -39.93 95.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.55 -0.719 . . . . 0.0 109.656 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.8 71.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.08 -1.013 . . . . 0.0 109.667 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.48 -42.05 95.47 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.01 -1.057 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.63 -39.98 93.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -95.6 7.75 45.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.314 -0.866 . . . . 0.0 110.508 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -50.55 -44.91 56.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.85 -1.156 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.02 -37.35 79.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.58 -39.31 87.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.227 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -84.29 -17.95 37.95 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.97 -1.081 . . . . 0.0 109.785 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.96 -126.67 1.6 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.502 -0.749 . . . . 0.0 110.755 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -86.76 -3.61 59.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.06 72.65 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.817 -1.177 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -70.03 -25.44 63.57 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.151 -0.968 . . . . 0.0 108.441 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.07 88.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.833 . . . . 0.0 109.726 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.92 92.36 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.386 -0.822 . . . . 0.0 109.099 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.415 ' SD ' HD12 ' B' ' 36' ' ' ILE . 27.8 ttm -60.0 -47.05 87.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 0.0 109.564 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.56 -41.71 90.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.976 -1.077 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -64.77 -37.1 86.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.04 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.25 -40.1 78.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.164 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -98.6 0.13 44.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.258 -0.901 . . . . 0.0 109.401 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.8 m120 54.72 45.59 26.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.565 -0.709 . . . . 0.0 110.501 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.619 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.5 mt -118.41 150.01 47.09 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.8 Cg_endo -70.6 157.33 59.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.073 1.849 . . . . 0.0 112.213 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.92 -21.77 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.672 2.248 . . . . 0.0 112.919 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.0 t -59.98 -49.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.192 -0.943 . . . . 0.0 110.949 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.28 -43.03 43.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.95 -1.094 . . . . 0.0 110.242 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.96 83.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 109.799 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -59.96 -40.04 87.68 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.134 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -63.4 -39.99 96.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 0.0 110.118 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.415 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.83 -40.47 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.013 -1.054 . . . . 0.0 108.353 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.57 -39.98 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -18.87 63.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.763 -0.585 . . . . 0.0 110.293 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -95.51 -34.15 12.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.938 -1.101 . . . . 0.0 110.256 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.73 136.63 58.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.946 -1.096 . . . . 0.0 108.97 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -75.23 -39.94 59.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 110.919 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.73 -39.97 73.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.111 -0.993 . . . . 0.0 111.764 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -82.25 0.55 40.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.776 -1.203 . . . . 0.0 110.248 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.54 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.9 tp60 -79.1 -69.94 0.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.107 -0.996 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.681 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.16 143.01 32.51 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.643 0.735 . . . . 0.0 111.294 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.9 m-20 -59.98 -38.32 82.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.37 -13.9 0.16 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.9 mt -60.04 -37.96 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -1.044 . . . . 0.0 108.663 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.46 ' HA ' HE21 ' A' ' 9' ' ' GLN . 93.5 m-20 -60.01 -39.28 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.261 -0.9 . . . . 0.0 109.158 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.31 -36.83 78.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.059 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.44 77.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 110.079 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.46 HE21 ' HA ' ' A' ' 6' ' ' ASP . 44.5 mt-30 -60.0 -41.07 91.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.115 . . . . 0.0 109.553 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.41 -40.08 89.68 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.283 -0.886 . . . . 0.0 109.517 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -96.63 5.38 50.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 111.162 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.88 -41.09 32.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.622 -1.299 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.04 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.334 -0.854 . . . . 0.0 109.171 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.58 -37.67 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.85 . . . . 0.0 110.013 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.14 -20.02 30.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.916 -1.115 . . . . 0.0 109.527 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m80 58.22 -138.27 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.486 -0.759 . . . . 0.0 110.349 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -0.89 53.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.391 -0.818 . . . . 0.0 109.821 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.67 76.78 8.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 0.0 108.969 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.05 -26.32 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.217 -0.927 . . . . 0.0 109.639 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.45 -42.17 95.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.152 -0.968 . . . . 0.0 110.371 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.44 79.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.12 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.0 ttp -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.358 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.4 -39.69 80.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.973 -1.08 . . . . 0.0 109.529 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 t -66.91 -38.44 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.55 -39.92 77.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.061 -1.024 . . . . 0.0 109.961 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.6 -5.73 45.13 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.124 -0.985 . . . . 0.0 109.075 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.2 m120 52.96 43.1 32.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.392 -0.817 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -109.28 127.7 26.75 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.28 -0.888 . . . . 0.0 109.573 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.3 Cg_exo -44.64 145.46 2.71 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.663 1.575 . . . . 0.0 112.113 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.94 -20.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.631 2.221 . . . . 0.0 113.534 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.5 t -59.92 -50.49 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.85 -1.156 . . . . 0.0 110.565 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.41 -42.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.02 -1.05 . . . . 0.0 110.441 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -51.15 70.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.15 -39.95 88.17 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -60.04 -43.55 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.828 . . . . 0.0 110.218 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.41 -47.92 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.966 -1.084 . . . . 0.0 108.594 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.24 -46.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.217 -0.927 . . . . 0.0 108.807 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -62.28 -20.15 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.586 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -95.61 -31.54 13.23 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.1 -1.0 . . . . 0.0 109.417 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.83 133.44 56.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.133 -0.979 . . . . 0.0 108.511 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.14 -29.76 54.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.751 -1.218 . . . . 0.0 110.659 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.01 -46.74 27.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 111.176 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.17 -22.66 38.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.959 -1.088 . . . . 0.0 111.531 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.5 tt0 -69.56 -58.18 4.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.771 -1.206 . . . . 0.0 110.016 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 C--N 1.3 -1.559 0 O-C-N 121.06 -1.025 . . . . 0.0 108.537 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.15 142.99 32.53 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.689 0.757 . . . . 0.0 111.275 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.56 -13.91 0.18 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' B' ' 3' ' ' ASP . 46.4 mt -59.95 -38.12 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.47 -1.018 . . . . 0.0 108.655 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.449 ' HA ' HE21 ' B' ' 9' ' ' GLN . 93.6 m-20 -60.04 -39.25 85.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.37 -0.831 . . . . 0.0 109.155 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.16 -36.97 78.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 0.0 109.029 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.47 77.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.0 110.098 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.449 HE21 ' HA ' ' B' ' 6' ' ' ASP . 44.7 mt-30 -59.94 -41.04 90.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.823 -1.173 . . . . 0.0 109.519 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.51 -39.99 89.79 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.499 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -96.64 5.41 50.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 111.165 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.98 -41.05 32.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.303 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.03 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.212 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.45 -37.83 84.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 110.068 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.91 -20.22 31.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.048 . . . . 0.0 109.551 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.7 m80 58.24 -138.69 0.83 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.404 -0.81 . . . . 0.0 110.302 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -83.32 -1.01 52.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.501 -0.749 . . . . 0.0 109.915 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.66 76.88 8.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.049 -1.032 . . . . 0.0 109.013 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.09 -26.71 64.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.292 -0.88 . . . . 0.0 109.606 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.11 79.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.022 -1.049 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -60.98 -43.62 98.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.37 -39.84 80.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.0 -1.062 . . . . 0.0 109.575 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.3 t -66.8 -38.14 85.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 0.0 110.091 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.85 -39.94 76.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.065 . . . . 0.0 109.914 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.68 -5.76 44.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.107 -0.996 . . . . 0.0 109.081 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 27.4 m120 53.02 43.09 32.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.356 -0.84 . . . . 0.0 110.601 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.32 127.67 26.8 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.304 -0.873 . . . . 0.0 109.587 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 98.6 Cg_exo -44.71 145.57 2.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.578 1.519 . . . . 0.0 112.102 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -39.04 -20.55 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.649 2.232 . . . . 0.0 113.607 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.8 t -59.98 -50.41 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.148 . . . . 0.0 110.624 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.51 -42.38 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.999 -1.063 . . . . 0.0 110.397 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.91 71.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.001 -1.062 . . . . 0.0 109.416 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -60.28 -40.06 89.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.482 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -60.02 -43.36 95.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.259 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.53 -47.87 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.897 -1.127 . . . . 0.0 108.603 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -46.34 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.237 -0.915 . . . . 0.0 108.841 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -62.14 -20.3 63.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.808 . . . . 0.0 109.483 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -95.33 -31.59 13.36 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.084 -1.01 . . . . 0.0 109.437 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -58.88 133.28 55.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.154 -0.966 . . . . 0.0 108.546 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.05 -29.48 55.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.772 -1.205 . . . . 0.0 110.688 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -76.17 -46.68 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.994 -1.066 . . . . 0.0 111.157 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.2 m -81.26 -22.4 38.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.925 -1.109 . . . . 0.0 111.57 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 55.8 tt0 -69.81 -58.22 4.15 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.722 -1.236 . . . . 0.0 110.056 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.603 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.62 142.72 27.12 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.607 0.718 . . . . 0.0 110.766 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.2 t0 -60.04 -40.0 87.88 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.94 -18.14 0.12 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.124 -1.591 . . . . 0.0 109.124 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.7 mt -59.96 -40.16 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.432 -1.04 . . . . 0.0 108.864 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -65.58 -39.28 91.45 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.69 77.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.549 -0.719 . . . . 0.0 110.004 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.1 -41.04 91.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.98 -1.075 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -39.98 92.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -0.836 . . . . 0.0 109.607 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.25 9.81 38.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.484 -0.76 . . . . 0.0 111.005 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -50.12 -41.36 48.49 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.789 -1.195 . . . . 0.0 108.91 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.02 -36.73 80.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 109.634 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.08 -40.03 88.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.4 -0.813 . . . . 0.0 110.331 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.13 -17.93 33.67 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.84 -1.163 . . . . 0.0 109.79 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.2 m80 56.71 -127.01 1.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.527 -0.733 . . . . 0.0 109.913 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.5 m -86.0 -8.78 57.72 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.04 74.94 6.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.835 -1.166 . . . . 0.0 109.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -69.97 -26.94 64.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.497 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.02 90.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.37 -0.832 . . . . 0.0 110.424 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.9 89.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.258 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.92 -42.44 99.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.408 -0.807 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.04 -40.06 76.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.213 -0.93 . . . . 0.0 109.196 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.56 -35.86 79.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.417 -0.802 . . . . 0.0 109.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.02 -43.08 72.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 109.597 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.29 -0.3 53.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.402 -0.811 . . . . 0.0 109.605 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.1 50.07 18.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.294 -0.879 . . . . 0.0 110.498 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.26 151.07 47.41 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.535 -0.728 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.56 151.06 52.35 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.175 1.917 . . . . 0.0 111.312 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -41.29 -24.17 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.279 1.986 . . . . 0.0 113.217 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.97 -57.03 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.006 -1.059 . . . . 0.0 110.484 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.04 -40.0 77.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 110.517 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.957 -1.089 . . . . 0.0 109.246 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 109.934 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.74 -40.81 93.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.534 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -41.2 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.885 -1.134 . . . . 0.0 108.366 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.63 -39.94 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.54 -23.82 59.2 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.658 -0.651 . . . . 0.0 110.323 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 m -95.14 -30.8 13.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.919 -1.113 . . . . 0.0 109.63 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.76 129.29 41.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -74.52 -39.27 62.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.04 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.1 -39.93 75.22 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.958 -1.089 . . . . 0.0 110.73 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.2 m -84.66 5.73 26.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.771 -1.206 . . . . 0.0 110.094 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -77.46 -69.98 0.5 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.054 -1.029 . . . . 0.0 109.154 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.74 142.76 27.09 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.644 0.735 . . . . 0.0 110.776 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.3 t0 -60.04 -39.9 87.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.85 -18.23 0.12 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.6 mt -60.12 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.496 -1.003 . . . . 0.0 108.944 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.55 -39.16 91.41 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.87 77.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.535 -0.728 . . . . 0.0 110.051 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.94 -41.19 91.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.135 -0.978 . . . . 0.0 109.31 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.26 -40.14 92.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.335 -0.853 . . . . 0.0 109.606 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.15 9.57 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.449 -0.782 . . . . 0.0 110.974 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -49.92 -41.3 45.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.806 -1.184 . . . . 0.0 108.959 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.11 -36.99 81.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.472 -0.767 . . . . 0.0 109.464 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.368 -0.832 . . . . 0.0 110.338 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -86.19 -17.9 33.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.755 -1.216 . . . . 0.0 109.66 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 56.73 -126.86 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.501 -0.749 . . . . 0.0 109.98 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 m -86.21 -8.74 57.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.636 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.13 75.08 6.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -70.05 -27.02 64.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.511 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.17 89.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.01 89.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.021 . . . . 0.0 109.317 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.83 -42.46 99.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 109.6 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.99 -40.09 75.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.946 . . . . 0.0 109.236 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -67.57 -36.05 80.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.46 -0.775 . . . . 0.0 109.718 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -69.88 -43.11 72.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.223 -0.923 . . . . 0.0 109.68 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.18 -0.36 53.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.323 -0.861 . . . . 0.0 109.671 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.4 m120 53.3 50.0 18.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.283 -0.886 . . . . 0.0 110.42 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.32 151.07 47.49 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.512 -0.742 . . . . 0.0 109.295 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -72.75 151.24 51.42 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.122 1.882 . . . . 0.0 111.268 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.35 -24.0 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.28 1.987 . . . . 0.0 113.255 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.15 -56.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.944 -1.097 . . . . 0.0 110.483 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -39.89 77.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.442 -0.786 . . . . 0.0 110.554 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.73 76.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.853 -1.154 . . . . 0.0 109.228 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.04 -39.92 87.58 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 109.921 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.82 -40.59 93.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.25 -41.34 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.93 -1.106 . . . . 0.0 108.274 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -67.42 -40.01 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.94 59.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.601 -0.687 . . . . 0.0 110.24 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.1 m -95.02 -30.72 13.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.998 -1.064 . . . . 0.0 109.739 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.2 t -59.84 129.28 41.09 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.083 -1.011 . . . . 0.0 108.571 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -74.3 -39.57 62.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.891 . . . . 0.0 111.048 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.02 -39.93 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.859 -1.151 . . . . 0.0 110.854 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -84.57 5.62 27.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.798 -1.189 . . . . 0.0 110.084 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -77.45 -69.94 0.5 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.064 . . . . 0.0 109.097 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.459 -0.775 . . . . 0.0 109.732 -179.597 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.667 0.746 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -98.43 142.01 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.64 . . . . 0.0 110.612 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.03 -40.01 87.84 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.84 -16.61 0.22 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 80.5 mt -60.48 -40.41 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.345 -1.091 . . . . 0.0 108.647 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.95 -39.99 91.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.94 -39.72 94.81 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' CYS . . . -59.68 -31.97 70.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.523 -0.735 . . . . 0.0 109.746 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -59.98 -49.84 76.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.75 -38.5 85.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.453 -0.779 . . . . 0.0 109.648 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.01 -2.3 58.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.281 -0.887 . . . . 0.0 109.89 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' ALA . 46.4 t -50.83 -36.3 36.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.885 -1.134 . . . . 0.0 109.627 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.5 tt0 -60.13 -39.95 88.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 110.143 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.68 -39.99 90.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.514 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -85.75 -24.16 27.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.855 -1.153 . . . . 0.0 109.795 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 66.6 m80 56.51 -119.14 1.27 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.487 -0.758 . . . . 0.0 109.993 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.46 -8.61 56.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.841 . . . . 0.0 110.501 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -78.94 68.2 4.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.942 -1.099 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.01 -25.42 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 109.337 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.31 -41.31 93.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 0.0 109.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.88 77.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.213 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.1 ttp -62.16 -42.2 99.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.832 . . . . 0.0 109.718 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.08 83.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.078 -1.013 . . . . 0.0 108.718 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 m -67.14 -37.34 83.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.552 -0.717 . . . . 0.0 110.105 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.63 -40.02 76.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.011 -1.055 . . . . 0.0 110.151 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -95.24 0.6 54.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.152 -0.968 . . . . 0.0 109.03 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 51.91 49.87 19.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -115.36 154.82 47.58 Favored Pre-proline 0 N--CA 1.501 2.085 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_endo -76.09 149.26 32.18 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.498 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -39.06 -25.81 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.53 2.153 . . . . 0.0 113.4 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -59.91 -50.24 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.97 -1.081 . . . . 0.0 110.743 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.61 -39.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.008 -1.058 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.25 66.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.242 -0.911 . . . . 0.0 109.267 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 109.384 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.73 -40.16 91.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 110.396 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.92 -41.09 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.006 -1.059 . . . . 0.0 108.861 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.82 -38.71 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.03 -22.12 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.782 -0.573 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.6 m -91.44 -33.31 15.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.891 -1.131 . . . . 0.0 109.358 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.38 -26.29 46.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.149 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.52 -39.99 67.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.984 -1.072 . . . . 0.0 110.068 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.3 m -81.34 -6.94 59.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 109.855 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.5 tp-100 -78.86 -70.1 0.52 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 109.639 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.235 -0.915 . . . . 0.0 109.791 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.66 0.743 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.39 142.04 30.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.556 -0.715 . . . . 0.0 110.663 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.2 m-20 -60.12 -39.96 88.08 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -16.59 0.22 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 80.3 mt -60.31 -40.35 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.256 -1.144 . . . . 0.0 108.703 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.11 -39.96 91.95 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.83 -39.8 95.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 12' ' ' CYS . . . -59.65 -31.78 69.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.366 -0.834 . . . . 0.0 109.795 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.1 -49.76 76.39 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.84 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.73 -38.45 85.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 0.0 109.766 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -89.18 -2.44 58.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 109.806 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' B' ' 8' ' ' ALA . 47.0 t -50.7 -36.32 35.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.846 -1.159 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.6 -40.03 90.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -0.972 . . . . 0.0 110.398 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -85.89 -24.09 26.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.919 -1.113 . . . . 0.0 109.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 66.5 m80 56.5 -119.25 1.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.457 -0.777 . . . . 0.0 109.954 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.31 -8.65 56.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.333 -0.854 . . . . 0.0 110.532 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.91 68.1 4.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.986 -1.071 . . . . 0.0 109.849 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.0 -25.53 63.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.262 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -41.29 93.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 0.0 109.565 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.97 77.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 0.0 109.273 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.99 -42.18 98.86 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.65 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.01 83.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.995 -1.065 . . . . 0.0 108.742 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -67.25 -37.27 83.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.606 -0.684 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.67 -39.97 76.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.025 -1.047 . . . . 0.0 110.207 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -95.27 0.5 53.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -1.0 . . . . 0.0 108.929 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m120 51.92 49.94 19.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt -115.5 154.68 47.76 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.498 -0.751 . . . . 0.0 109.049 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.96 149.29 32.74 Favored 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.86 1.707 . . . . 0.0 111.453 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -38.99 -25.96 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.584 2.189 . . . . 0.0 113.386 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -50.17 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.896 -1.128 . . . . 0.0 110.79 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.51 -39.43 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.074 -1.016 . . . . 0.0 109.974 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.1 66.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.281 -0.887 . . . . 0.0 109.152 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.18 -40.03 88.54 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.352 -0.843 . . . . 0.0 109.322 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.64 -40.29 91.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.468 -0.77 . . . . 0.0 110.398 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.955 -1.09 . . . . 0.0 108.814 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.99 -38.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.04 -22.07 62.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.911 -0.493 . . . . 0.0 110.527 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.0 m -91.3 -33.09 15.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.914 -1.117 . . . . 0.0 109.365 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.96 131.61 51.4 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.31 -26.53 46.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.0 110.011 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.48 -40.12 67.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.029 -1.044 . . . . 0.0 109.909 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -81.26 -6.64 59.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.205 -0.935 . . . . 0.0 109.879 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 49.5 tp60 -79.12 -69.98 0.54 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.76 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.569 -179.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.48 145.05 25.47 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.801 0.81 . . . . 0.0 110.854 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.7 m-20 -60.07 -39.94 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.26 -15.4 0.41 Allowed Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.21 -41.5 87.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.069 -1.253 . . . . 0.0 108.673 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.18 -40.05 88.63 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.81 92.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.36 75.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 109.673 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -43.53 95.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.79 -39.9 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.846 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.19 1.05 57.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.369 -0.832 . . . . 0.0 110.417 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -40.92 35.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.781 -1.2 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -38.35 82.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.436 -0.79 . . . . 0.0 109.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.45 -39.75 94.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.275 -0.891 . . . . 0.0 109.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.14 -19.21 28.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.076 -1.015 . . . . 0.0 109.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 57.64 -133.03 1.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.552 -0.717 . . . . 0.0 110.492 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.6 p -82.25 -8.27 59.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.568 -0.708 . . . . 0.0 110.845 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.07 78.07 4.56 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.656 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.03 -26.14 63.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.492 -0.755 . . . . 0.0 109.277 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.18 -40.37 93.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.12 79.86 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.187 -0.946 . . . . 0.0 109.489 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.61 -41.35 98.94 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.238 -0.914 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -40.4 88.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 109.148 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m -65.7 -38.9 90.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.421 -0.8 . . . . 0.0 109.759 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -68.61 -45.75 71.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -92.57 -0.87 57.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.348 -0.845 . . . . 0.0 109.213 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.4 m-80 51.79 49.79 20.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 0.0 110.482 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.14 153.59 46.29 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.508 -0.745 . . . . 0.0 109.426 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' VAL . 86.2 Cg_endo -78.46 151.14 25.59 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.249 1.966 . . . . 0.0 111.366 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -38.03 -22.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.357 2.038 . . . . 0.0 113.324 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' PRO . 62.6 t -59.51 -61.39 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.856 -1.152 . . . . 0.0 110.105 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.99 -40.15 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.45 -0.781 . . . . 0.0 110.672 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.04 79.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.698 -1.251 . . . . 0.0 109.326 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -60.58 -39.96 89.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.175 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.13 -42.11 94.1 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.2 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.14 -40.25 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.932 -1.105 . . . . 0.0 108.206 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.12 -40.0 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.72 27.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.684 -0.635 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -92.01 -45.61 8.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.96 130.12 45.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.283 -0.886 . . . . 0.0 108.74 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -79.73 -27.25 40.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.012 -1.055 . . . . 0.0 110.019 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.08 -45.35 49.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.994 -1.066 . . . . 0.0 110.564 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 71.7 m -79.87 -29.97 40.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.149 -0.969 . . . . 0.0 110.773 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.2 -56.05 6.87 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.937 -1.102 . . . . 0.0 111.089 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.161 -0.962 . . . . 0.0 110.234 -178.206 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.422 0.629 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -95.29 144.97 25.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.87 . . . . 0.0 110.927 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.5 m-20 -60.02 -39.93 87.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -14.94 0.41 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.9 mt -60.63 -41.38 87.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.127 -1.22 . . . . 0.0 108.593 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -40.09 88.91 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.61 91.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.499 -0.751 . . . . 0.0 109.033 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.25 75.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.03 -43.59 95.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.901 -1.125 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.67 -39.97 93.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.429 -0.795 . . . . 0.0 109.768 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.41 1.27 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.36 -40.96 37.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.874 -1.141 . . . . 0.0 109.444 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.17 -37.98 81.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.7 -39.78 95.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.837 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -87.06 -19.21 28.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.104 -0.998 . . . . 0.0 109.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 57.45 -133.05 1.29 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.57 0.7 . . . . 0.0 110.502 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -82.08 -8.39 59.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.576 -0.703 . . . . 0.0 110.818 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -77.95 77.94 4.45 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -26.01 63.81 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.476 -0.765 . . . . 0.0 109.339 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.15 -40.46 93.93 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.08 79.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.218 -0.926 . . . . 0.0 109.549 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.62 -41.4 98.98 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.93 -40.41 88.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.073 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.65 -38.87 90.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -68.72 -45.65 70.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.687 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.65 -0.82 57.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.415 -0.803 . . . . 0.0 109.309 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 3.4 m-80 51.73 49.83 20.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.388 -0.82 . . . . 0.0 110.584 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.21 153.66 46.35 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 121.511 -0.743 . . . . 0.0 109.343 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' B' ' 31' ' ' VAL . 87.9 Cg_endo -78.42 151.34 25.89 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.233 1.955 . . . . 0.0 111.447 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -38.24 -22.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.429 2.086 . . . . 0.0 113.268 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.8 t -59.66 -61.4 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.81 -1.181 . . . . 0.0 110.072 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.95 -40.03 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.48 -0.763 . . . . 0.0 110.709 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.29 78.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.691 -1.255 . . . . 0.0 109.206 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.369 -0.832 . . . . 0.0 109.194 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.99 -42.32 93.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.335 -0.853 . . . . 0.0 110.34 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.9 -40.31 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.948 -1.095 . . . . 0.0 108.18 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.14 -40.0 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.9 27.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.709 -0.619 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.2 m -91.91 -45.47 8.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.96 130.11 45.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.34 -0.85 . . . . 0.0 108.898 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.69 -27.27 40.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.091 -1.005 . . . . 0.0 110.061 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.03 -45.4 49.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.038 . . . . 0.0 110.632 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.87 -30.04 40.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.025 -1.047 . . . . 0.0 110.806 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.33 -55.61 7.67 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.929 -1.107 . . . . 0.0 111.208 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.109 -0.994 . . . . 0.0 110.258 -178.431 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.32 143.36 29.66 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.568 0.699 . . . . 0.0 110.696 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.2 t0 -59.97 -38.79 83.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -16.12 0.4 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' ASP . 72.1 mt -60.13 -41.42 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 0.0 108.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.32 -40.04 89.15 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -61.54 -39.29 90.55 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.586 -0.696 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.31 -39.88 84.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.05 -43.97 95.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.744 -1.223 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.89 -39.94 93.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.521 -0.737 . . . . 0.0 110.131 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.04 8.68 38.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 110.135 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -51.03 -40.34 58.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.048 -1.033 . . . . 0.0 109.197 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.6 -39.86 89.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.403 -0.811 . . . . 0.0 110.214 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -62.03 -40.04 94.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.005 -1.059 . . . . 0.0 109.606 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.62 -15.47 34.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.136 -0.977 . . . . 0.0 109.075 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.7 m80 57.81 -137.09 0.94 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.62 -0.675 . . . . 0.0 109.714 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -85.97 -0.13 54.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.35 76.9 8.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.008 -1.058 . . . . 0.0 109.48 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.02 -26.33 64.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.119 -0.988 . . . . 0.0 109.666 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.14 -40.77 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 110.1 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.05 79.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.962 . . . . 0.0 108.8 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.493 ' C ' ' SD ' ' A' ' 22' ' ' MET . 15.4 tmm? -60.13 -47.57 85.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.555 -0.716 . . . . 0.0 109.106 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -55.47 -39.6 70.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.111 -0.993 . . . . 0.0 109.438 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -65.29 -40.0 93.29 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.692 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.07 -40.02 75.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.229 -0.919 . . . . 0.0 110.229 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -95.66 -0.42 51.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.075 -1.015 . . . . 0.0 109.243 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.2 m120 50.28 43.63 26.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.116 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -106.94 121.49 44.69 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.397 -0.815 . . . . 0.0 109.903 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.5 Cg_exo -44.42 145.31 2.58 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.672 1.581 . . . . 0.0 111.284 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.69 -21.42 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.072 1.848 . . . . 0.0 113.396 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -58.49 -57.8 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.809 -1.182 . . . . 0.0 110.337 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.98 -40.8 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 0.0 110.044 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.59 72.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.774 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -59.97 -39.04 84.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.57 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.405 -0.81 . . . . 0.0 110.62 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.2 -40.28 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.839 -1.163 . . . . 0.0 108.941 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.7 -40.09 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.41 -21.97 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.693 . . . . 0.0 110.278 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -91.96 -38.64 12.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.998 -1.063 . . . . 0.0 109.732 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.9 132.69 54.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.664 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.88 -30.69 40.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 0.0 110.488 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -71.96 -40.38 68.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.971 . . . . 0.0 110.284 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -86.3 7.39 25.59 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.09 -1.006 . . . . 0.0 109.756 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.99 -70.0 0.53 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.0 109.833 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.839 . . . . 0.0 109.409 -179.294 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.406 HD12 HD21 ' B' ' 28' ' ' LEU . 81.2 mt -99.45 143.57 29.55 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.601 -0.687 . . . . 0.0 110.623 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 5' ' ' ILE . 37.2 t0 -60.01 -38.53 82.94 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.31 -15.89 0.47 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' B' ' 3' ' ' ASP . 72.4 mt -60.19 -41.64 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.213 -1.169 . . . . 0.0 108.62 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.08 -40.02 88.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.71 -38.81 89.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.511 -0.743 . . . . 0.0 109.222 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.81 86.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 0.0 110.342 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.05 -44.05 94.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.683 -1.261 . . . . 0.0 109.203 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.9 -40.01 93.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.538 -0.726 . . . . 0.0 109.991 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.12 8.63 39.31 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.147 -0.971 . . . . 0.0 110.105 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 47.8 t -50.83 -40.16 55.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.263 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.81 -39.93 90.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 0.0 110.214 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.88 -39.99 93.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.968 . . . . 0.0 109.6 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.61 -15.6 34.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.097 -1.002 . . . . 0.0 109.074 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 57.72 -137.2 0.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.649 -0.657 . . . . 0.0 109.707 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -85.75 -0.2 54.58 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.26 -0.9 . . . . 0.0 110.288 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.26 77.09 8.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.917 -1.115 . . . . 0.0 109.516 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -69.98 -26.61 64.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.94 91.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.007 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.97 79.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.496 ' C ' ' SD ' ' B' ' 22' ' ' MET . 15.3 tmm? -60.11 -47.43 85.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.468 -0.77 . . . . 0.0 109.025 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -55.62 -39.45 70.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.523 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -65.39 -40.05 92.99 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.331 -0.856 . . . . 0.0 109.678 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.98 -40.01 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.235 -0.916 . . . . 0.0 110.221 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -95.62 -0.48 51.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.142 -0.974 . . . . 0.0 109.297 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.2 m120 50.35 43.45 26.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.923 . . . . 0.0 110.117 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 HD12 ' B' ' 2' ' ' LEU . 24.2 mt -106.93 121.48 44.73 Favored Pre-proline 0 N--CA 1.498 1.925 0 O-C-N 121.496 -0.753 . . . . 0.0 109.944 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 31' ' ' VAL . 99.0 Cg_exo -44.35 145.32 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.627 1.551 . . . . 0.0 111.234 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.76 -21.12 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.175 1.917 . . . . 0.0 113.294 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -58.57 -57.75 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.898 -1.126 . . . . 0.0 110.35 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -41.01 78.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.43 -0.794 . . . . 0.0 110.016 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.52 72.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.113 -0.992 . . . . 0.0 109.763 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.08 -39.02 84.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.433 -0.792 . . . . 0.0 110.558 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.96 -40.96 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.82 -1.175 . . . . 0.0 108.904 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.26 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 108.596 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.99 62.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 110.299 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.28 -38.51 12.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.639 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.95 132.78 55.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.029 -1.044 . . . . 0.0 108.579 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -80.11 -30.59 39.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.107 -0.995 . . . . 0.0 110.44 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -72.0 -40.66 68.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.03 -1.043 . . . . 0.0 110.23 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -86.12 7.53 24.5 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.107 -0.996 . . . . 0.0 109.678 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -79.19 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.267 -0.896 . . . . 0.0 109.824 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.359 -179.339 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.592 0.711 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 143.03 31.07 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.713 . . . . 0.0 110.771 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.5 m-20 -60.0 -39.38 85.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.39 -15.13 0.12 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.5 mt -60.06 -36.02 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.527 -0.984 . . . . 0.0 108.485 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.39 82.39 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 37.6 ttmt -62.71 -39.95 95.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.79 77.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.202 -0.936 . . . . 0.0 109.944 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -60.03 -40.54 89.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -40.34 90.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.408 -0.807 . . . . 0.0 110.581 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 31.2 mp0 -100.53 15.75 26.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -49.2 -43.88 42.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.9 -1.125 . . . . 0.0 109.4 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.3 -34.25 73.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.621 -0.675 . . . . 0.0 110.148 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -60.03 -39.22 85.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -85.3 -16.3 40.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.883 -1.136 . . . . 0.0 108.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.87 -132.9 1.41 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 109.986 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.9 p -83.19 -7.49 59.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.202 -0.936 . . . . 0.0 110.199 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.5 76.11 5.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.98 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -69.97 -23.65 63.2 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.395 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -39.98 89.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.99 92.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.948 . . . . 0.0 109.562 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.89 -42.36 98.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.67 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -66.22 -39.98 89.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 0.0 110.591 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.91 -40.08 75.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.014 -1.054 . . . . 0.0 110.316 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -96.79 -1.65 45.82 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.265 -0.897 . . . . 0.0 109.605 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.6 m120 53.49 43.64 30.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.209 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 mt -112.92 151.61 44.22 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.26 154.62 51.61 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.001 1.8 . . . . 0.0 112.362 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.01 -26.27 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.878 2.385 . . . . 0.0 113.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.88 -50.31 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 120.917 -1.114 . . . . 0.0 110.152 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.06 -41.89 52.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.032 -1.042 . . . . 0.0 110.431 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.53 68.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.861 -1.149 . . . . 0.0 109.808 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.29 -40.01 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.107 -0.995 . . . . 0.0 109.906 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.89 -40.05 91.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 0.0 110.271 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.03 -40.62 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.044 -1.035 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.98 -40.07 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.69 -17.73 25.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.742 -0.599 . . . . 0.0 110.067 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -91.67 -45.24 8.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.929 -1.107 . . . . 0.0 108.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.47 129.42 41.91 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.07 -33.95 50.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.913 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.958 -1.089 . . . . 0.0 110.891 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.0 m -77.91 -30.46 50.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.859 -1.15 . . . . 0.0 110.211 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -76.09 -64.19 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.054 -1.029 . . . . 0.0 108.827 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 0.0 109.038 179.575 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 74.3 mt -100.52 142.99 31.23 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.57 0.7 . . . . 0.0 110.82 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.2 m-20 -60.01 -39.25 85.18 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.35 -15.37 0.13 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.1 mt -59.9 -36.15 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -1.01 . . . . 0.0 108.49 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.42 82.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 37.5 ttmt -62.64 -40.04 95.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.401 -0.812 . . . . 0.0 109.247 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.86 77.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -59.99 -40.66 89.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.032 -1.043 . . . . 0.0 109.87 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -40.4 90.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.366 -0.834 . . . . 0.0 110.606 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 31.2 mp0 -100.47 15.58 27.44 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.24 -43.96 43.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.977 -1.077 . . . . 0.0 109.377 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.21 -34.32 73.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.58 -0.7 . . . . 0.0 110.226 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.99 -39.32 85.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.776 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -85.21 -16.27 40.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.976 -1.078 . . . . 0.0 108.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.93 -132.71 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.498 -0.752 . . . . 0.0 110.044 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -83.35 -7.51 59.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 110.186 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -78.54 76.26 5.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.916 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.6 p-90 -70.11 -23.7 63.08 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.282 -0.886 . . . . 0.0 109.293 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.24 -40.0 88.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.018 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.95 91.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.923 . . . . 0.0 109.52 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.84 -42.52 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.181 -0.949 . . . . 0.0 109.735 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -40.01 87.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 109.762 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -66.25 -39.9 89.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.337 -0.852 . . . . 0.0 110.661 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.96 -40.03 75.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.001 -1.062 . . . . 0.0 110.294 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.94 -1.63 45.34 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.23 -0.919 . . . . 0.0 109.564 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 53.4 43.83 30.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.05 151.67 44.34 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.24 154.54 51.64 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.056 1.837 . . . . 0.0 112.307 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -40.95 -26.31 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.889 2.392 . . . . 0.0 113.853 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.02 -49.91 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 110.278 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.37 -41.6 50.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.047 -1.033 . . . . 0.0 110.395 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.48 69.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.961 -1.087 . . . . 0.0 109.737 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.19 -40.06 88.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.026 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.0 -39.9 91.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.287 -0.883 . . . . 0.0 110.266 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.11 -40.44 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.041 -1.037 . . . . 0.0 108.404 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.06 -40.06 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.9 27.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 110.006 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -91.5 -45.11 8.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.979 -1.076 . . . . 0.0 108.684 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -59.64 129.42 41.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -77.93 -34.03 51.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 111.06 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.71 -42.86 70.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.993 -1.067 . . . . 0.0 110.951 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.6 m -78.14 -30.32 49.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.849 -1.157 . . . . 0.0 110.167 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -76.14 -64.38 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.083 -1.011 . . . . 0.0 108.864 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.016 179.486 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.88 140.81 30.11 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.723 0.773 . . . . 0.0 110.867 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.0 m-20 -60.02 -38.42 82.63 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 -14.37 0.41 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 66.7 mt -59.89 -39.38 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.509 -0.995 . . . . 0.0 108.951 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.02 -38.41 82.61 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -38.5 91.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.865 . . . . 0.0 108.878 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.85 71.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.07 -40.73 90.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.133 -0.979 . . . . 0.0 108.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -40.0 94.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.517 -0.739 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.24 0.06 57.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 110.331 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.98 -44.1 40.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.888 -1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.13 -38.11 82.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.289 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.4 -40.01 89.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.44 -14.14 44.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 109.245 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 59.04 -138.4 0.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.756 . . . . 0.0 110.292 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -80.77 -8.24 59.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.05 76.06 4.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.0 109.591 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.24 -25.14 63.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.469 -0.769 . . . . 0.0 109.39 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.29 -40.26 89.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.649 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.13 83.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.0 109.357 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.83 -40.0 94.48 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.263 -0.898 . . . . 0.0 109.511 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.31 93.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.979 -1.075 . . . . 0.0 109.72 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 73.6 m -64.41 -40.03 94.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.133 -0.979 . . . . 0.0 110.248 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.94 -40.01 75.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.014 . . . . 0.0 110.55 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -92.79 -0.74 57.21 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.923 -1.111 . . . . 0.0 109.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.3 m120 52.12 48.22 23.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.574 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -116.98 151.21 47.19 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.477 -0.764 . . . . 0.0 109.149 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.92 154.29 53.2 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.066 1.844 . . . . 0.0 112.182 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.07 -27.59 1.04 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.488 2.125 . . . . 0.0 113.361 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -52.49 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.93 -1.106 . . . . 0.0 110.273 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.48 -40.11 63.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.751 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.47 69.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.158 -0.964 . . . . 0.0 109.713 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.013 . . . . 0.0 109.836 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.4 -40.01 92.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.356 -0.84 . . . . 0.0 110.488 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.59 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.52 -39.93 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.52 -20.74 48.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.874 -0.516 . . . . 0.0 109.96 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.1 m -96.59 -34.38 11.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.985 . . . . 0.0 109.555 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.39 132.4 53.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.148 -0.97 . . . . 0.0 108.907 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.216 -0.928 . . . . 0.0 111.465 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.992 -1.067 . . . . 0.0 110.587 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.3 2.09 41.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.857 -1.152 . . . . 0.0 109.91 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -76.66 -69.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.069 -1.019 . . . . 0.0 108.748 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.393 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.85 140.92 29.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.725 0.774 . . . . 0.0 110.897 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.8 m-20 -60.06 -38.54 83.11 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -14.47 0.39 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 3' ' ' ASP . 66.3 mt -60.04 -39.37 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.466 -1.02 . . . . 0.0 108.896 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.91 -38.45 82.36 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.08 -38.44 91.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 108.848 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.94 71.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -0.836 . . . . 0.0 109.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.01 -40.6 89.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.109 -0.995 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -39.96 94.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.458 -0.776 . . . . 0.0 110.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -90.18 -0.08 57.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.231 -0.918 . . . . 0.0 110.291 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -48.84 -44.21 39.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.998 -1.064 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.05 -38.22 82.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.418 -0.801 . . . . 0.0 109.24 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.39 -40.0 89.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.42 -13.98 44.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.151 -0.968 . . . . 0.0 109.314 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 58.97 -138.32 0.78 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.49 -0.756 . . . . 0.0 110.213 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -8.37 59.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.568 -0.707 . . . . 0.0 110.2 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 75.82 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.644 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.01 -25.08 63.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.805 . . . . 0.0 109.476 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.32 90.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.883 . . . . 0.0 109.619 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.03 83.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.97 -39.97 94.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.168 -0.958 . . . . 0.0 109.496 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.42 94.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.055 . . . . 0.0 109.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 73.3 m -64.4 -39.93 94.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.978 . . . . 0.0 110.486 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -92.92 -0.59 57.19 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.946 -1.096 . . . . 0.0 109.35 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.3 m120 52.13 48.25 23.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.86 . . . . 0.0 110.581 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -117.0 151.18 47.16 Favored Pre-proline 0 N--CA 1.501 2.097 0 O-C-N 121.433 -0.792 . . . . 0.0 109.093 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.92 154.32 53.17 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.072 1.848 . . . . 0.0 112.12 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.03 -27.48 0.98 Allowed 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.48 2.12 . . . . 0.0 113.376 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -52.8 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.921 -1.112 . . . . 0.0 110.225 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.19 -40.12 65.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -51.43 69.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.27 -40.0 88.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 109.88 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.33 -40.05 92.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 0.0 110.47 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.0 -42.5 89.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 120.988 -1.07 . . . . 0.0 108.189 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.68 -39.95 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.88 48.7 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.697 -0.627 . . . . 0.0 109.971 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.4 m -96.44 -34.55 11.47 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.097 -1.002 . . . . 0.0 109.618 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.18 132.51 54.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.12 -0.987 . . . . 0.0 108.909 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.439 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -69.97 -40.04 75.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.914 -1.116 . . . . 0.0 110.566 -178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.21 1.98 42.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.889 -1.132 . . . . 0.0 109.818 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -76.6 -69.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.043 -1.036 . . . . 0.0 108.982 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.388 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.8 mt -97.25 142.39 29.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.804 0.812 . . . . 0.0 111.026 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 87.4 m-20 -60.05 -39.91 87.6 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.9 -13.97 0.23 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.7 mt -60.2 -39.97 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.218 -1.166 . . . . 0.0 108.846 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.41 -39.86 88.91 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 63.6 tttp -61.92 -38.61 89.08 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -32.88 68.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 110.078 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.25 -40.04 88.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.099 -1.001 . . . . 0.0 110.136 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.32 -40.03 89.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.246 -0.909 . . . . 0.0 111.13 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 55.2 mp0 -93.2 -0.83 56.76 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.832 -1.167 . . . . 0.0 110.298 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.59 -37.65 41.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 109.944 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.07 -40.07 88.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.753 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.87 -27.71 65.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.998 -1.064 . . . . 0.0 110.216 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.61 -16.4 39.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.874 -1.141 . . . . 0.0 109.125 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 58.6 -139.56 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.509 -0.744 . . . . 0.0 109.982 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -85.02 -0.03 53.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.386 -0.821 . . . . 0.0 109.884 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.45 78.47 5.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.978 -1.076 . . . . 0.0 109.805 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.98 -25.15 63.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.213 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.22 -40.45 90.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.924 . . . . 0.0 110.075 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.51 70.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.08 -1.012 . . . . 0.0 109.728 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -60.85 -40.07 91.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.67 83.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.893 -1.129 . . . . 0.0 109.299 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -67.41 -38.02 83.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 0.0 110.202 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.29 -39.92 78.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.014 -1.054 . . . . 0.0 110.193 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -94.93 -0.55 53.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.262 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 m120 51.68 48.94 21.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.32 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 mt -116.3 150.65 45.71 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.316 -0.865 . . . . 0.0 109.387 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.35 156.98 60.6 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.219 1.946 . . . . 0.0 111.456 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.73 -24.87 2.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.356 2.037 . . . . 0.0 113.473 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -50.32 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.831 -1.168 . . . . 0.0 110.685 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.16 -40.1 29.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 120.741 -1.224 . . . . 0.0 110.507 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.04 67.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.915 -1.115 . . . . 0.0 109.467 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.42 -39.87 92.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.451 -0.781 . . . . 0.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.05 -39.96 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -40.02 82.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.12 -22.58 62.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.7 -0.625 . . . . 0.0 109.91 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.9 m -95.2 -35.95 11.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.06 -1.025 . . . . 0.0 109.307 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.6 t -59.41 128.07 35.24 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -75.34 -33.91 61.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.236 -0.915 . . . . 0.0 110.97 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.09 -41.44 74.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.082 -1.011 . . . . 0.0 110.53 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -87.01 0.93 54.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.216 -0.928 . . . . 0.0 110.31 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.4 tp-100 -69.78 -59.32 3.02 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.009 -1.057 . . . . 0.0 109.573 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 0.0 109.577 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.7 mt -97.27 142.34 29.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.0 110.963 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 5' ' ' ILE . 87.5 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -13.79 0.23 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.6 mt -60.27 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.282 -1.128 . . . . 0.0 108.812 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.27 -39.91 88.5 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 63.6 tttp -61.83 -38.84 89.67 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.8 -32.86 67.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 110.169 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.24 -40.16 89.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.032 -1.043 . . . . 0.0 110.149 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.39 -40.0 89.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.194 -0.941 . . . . 0.0 111.053 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 11' ' ' GLU . 56.2 mp0 -93.11 -0.9 56.9 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.931 -1.106 . . . . 0.0 110.375 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.53 -37.87 41.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.09 -1.006 . . . . 0.0 109.877 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.199 -0.938 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.85 -27.64 65.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.01 -1.056 . . . . 0.0 110.353 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.63 -16.35 39.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.827 -1.17 . . . . 0.0 109.154 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 58.66 -139.39 0.77 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.64 -0.663 . . . . 0.0 109.932 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -84.98 -0.03 52.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.84 . . . . 0.0 109.926 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.66 78.55 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.988 -1.07 . . . . 0.0 109.79 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.08 -25.08 63.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.398 -0.813 . . . . 0.0 109.136 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.38 -40.45 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 0.0 110.079 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.66 70.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.113 -0.992 . . . . 0.0 109.713 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -60.8 -40.06 91.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.04 84.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.01 -1.056 . . . . 0.0 109.265 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -67.22 -37.92 84.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.333 -0.854 . . . . 0.0 110.289 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.22 -40.14 78.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.158 -0.964 . . . . 0.0 110.126 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.05 -0.21 53.86 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 m120 51.39 49.02 21.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 110.387 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -116.5 150.78 46.11 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.364 -0.835 . . . . 0.0 109.286 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.44 156.97 60.46 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.182 1.921 . . . . 0.0 111.628 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.6 -25.07 2.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.439 2.093 . . . . 0.0 113.543 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.815 -1.178 . . . . 0.0 110.61 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.38 -40.19 28.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.885 -1.135 . . . . 0.0 110.508 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.883 -1.136 . . . . 0.0 109.602 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.05 -40.12 88.35 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.376 -0.827 . . . . 0.0 109.538 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.39 -39.98 92.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 110.54 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.01 -40.05 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -22.89 63.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.76 -0.588 . . . . 0.0 109.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.3 m -94.9 -35.88 11.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.066 -1.021 . . . . 0.0 109.41 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.37 127.97 34.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -75.29 -33.84 61.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.192 -0.943 . . . . 0.0 110.935 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.13 -41.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.0 110.517 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.03 0.79 54.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.126 -0.984 . . . . 0.0 110.201 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -69.68 -59.63 2.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.979 -1.076 . . . . 0.0 109.505 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.492 -179.56 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.52 142.23 31.28 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.837 0.827 . . . . 0.0 111.592 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.06 -38.29 82.39 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -12.37 0.17 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 42.5 mt -59.93 -38.16 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.437 -1.037 . . . . 0.0 109.061 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 52.8 t0 -59.93 -37.68 80.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 108.918 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.57 -36.73 84.63 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.85 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 109.665 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.89 -41.39 91.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.062 . . . . 0.0 109.546 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.81 -39.91 90.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.321 -0.862 . . . . 0.0 110.001 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.04 7.35 44.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.208 -0.933 . . . . 0.0 110.424 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -50.08 -47.43 53.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 108.997 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.73 -39.66 89.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.587 -0.696 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.149 -0.969 . . . . 0.0 109.881 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -85.68 -11.86 52.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 59.26 -134.37 0.89 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.541 -0.725 . . . . 0.0 110.525 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.2 0.92 54.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 0.0 110.39 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.27 78.02 6.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.935 -1.103 . . . . 0.0 109.194 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.93 -26.29 64.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.155 -0.965 . . . . 0.0 110.036 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.035 -1.04 . . . . 0.0 110.083 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.32 93.29 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 108.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.5 ttm -60.03 -45.24 93.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.829 . . . . 0.0 109.541 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.34 -43.95 92.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.271 -0.893 . . . . 0.0 109.505 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -63.66 -39.98 95.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 0.0 110.439 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.0 -40.51 75.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.166 -0.959 . . . . 0.0 110.909 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.67 0.02 52.18 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.043 -1.036 . . . . 0.0 109.333 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.6 m120 53.72 50.04 17.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.36 -0.837 . . . . 0.0 110.147 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.8 mt -120.13 152.67 54.79 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.69 150.83 45.68 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.01 1.807 . . . . 0.0 111.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -40.97 -23.88 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.439 2.093 . . . . 0.0 113.197 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.05 -50.44 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.954 -1.091 . . . . 0.0 110.281 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.93 -40.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.321 -0.862 . . . . 0.0 110.562 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.13 78.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.076 -1.015 . . . . 0.0 109.257 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.11 -39.94 91.86 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.298 -0.876 . . . . 0.0 110.109 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.33 -40.6 94.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.79 -40.76 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.09 -39.98 85.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.57 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.87 -18.0 62.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.815 -0.553 . . . . 0.0 110.277 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -94.1 -38.11 11.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.805 -1.184 . . . . 0.0 109.051 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.45 131.82 51.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 108.791 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -78.38 -33.01 49.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.557 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -70.31 -40.1 74.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.979 -1.076 . . . . 0.0 110.407 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.9 m -86.25 -1.87 57.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.999 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.5 tp-100 -69.66 -58.79 3.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.86 -1.15 . . . . 0.0 109.657 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.691 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -99.46 142.24 31.19 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.813 0.816 . . . . 0.0 111.458 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.7 m-20 -60.11 -38.47 83.1 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -12.36 0.15 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 43.0 mt -59.99 -38.21 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.438 -1.036 . . . . 0.0 109.029 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 52.4 t0 -59.84 -37.8 80.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 108.802 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -65.64 -36.49 83.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 109.439 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.82 72.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.609 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.99 -41.45 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.009 -1.057 . . . . 0.0 109.419 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.56 -40.09 90.33 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.245 -0.91 . . . . 0.0 110.086 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -92.94 7.57 43.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.175 -0.953 . . . . 0.0 110.441 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -50.27 -47.34 55.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.818 -1.176 . . . . 0.0 108.964 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.57 -40.04 90.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.588 -0.695 . . . . 0.0 110.233 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.16 -0.962 . . . . 0.0 110.049 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -85.79 -11.85 52.43 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 59.39 -134.41 0.88 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.745 . . . . 0.0 110.602 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.37 1.05 54.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.468 -0.77 . . . . 0.0 110.351 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.37 77.93 7.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.092 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.95 -26.09 63.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.148 -0.97 . . . . 0.0 110.222 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.96 -40.14 88.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.03 -1.044 . . . . 0.0 110.238 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.25 93.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 108.927 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.8 ttm -60.14 -45.55 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.508 -0.745 . . . . 0.0 109.532 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.99 -44.13 91.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.451 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -63.65 -39.98 95.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.0 110.492 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.04 -40.12 75.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.076 -1.015 . . . . 0.0 110.947 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.95 0.06 51.35 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.985 -1.072 . . . . 0.0 109.184 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 53.66 50.08 17.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.328 -0.857 . . . . 0.0 110.197 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 58.6 mt -120.15 152.73 54.93 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.538 -0.726 . . . . 0.0 109.041 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 150.83 45.5 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.061 1.841 . . . . 0.0 112.018 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.01 -23.82 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.399 2.066 . . . . 0.0 113.166 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.86 -50.59 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.861 -1.149 . . . . 0.0 110.412 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.91 -40.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.056 -1.027 . . . . 0.0 109.234 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.64 -40.05 90.54 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.53 -40.27 94.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 109.977 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.14 -40.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.41 -40.05 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -62.71 -19.16 63.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.824 -0.548 . . . . 0.0 110.213 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -93.07 -38.13 11.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.023 -1.048 . . . . 0.0 109.29 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -60.31 132.04 52.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.21 -0.931 . . . . 0.0 108.686 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -78.38 -33.02 49.15 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.229 -0.919 . . . . 0.0 110.609 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -70.41 -40.02 74.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 110.408 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -86.32 -2.11 58.11 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.065 -1.022 . . . . 0.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 68.3 tp60 -69.25 -59.06 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.869 -1.144 . . . . 0.0 109.514 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -102.06 140.04 36.88 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.553 0.692 . . . . 0.0 110.803 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' ILE . 56.7 t0 -60.04 -40.0 87.86 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.05 -9.98 0.26 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' ASP . 30.4 mt -59.97 -32.27 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -1.116 . . . . 0.0 108.634 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 89.0 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.161 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.27 85.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.525 -0.734 . . . . 0.0 109.508 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -33.64 69.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.907 . . . . 0.0 109.857 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.021 -1.049 . . . . 0.0 109.796 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' A' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.46 86.11 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.955 -1.091 . . . . 0.0 110.057 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -89.95 1.23 56.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 110.232 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -40.06 39.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.0 109.401 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.07 -39.63 86.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 109.438 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 68.6 mttm -63.23 -36.82 84.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 0.0 110.162 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -85.92 -19.38 30.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.924 -1.11 . . . . 0.0 109.556 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 31.3 m80 58.04 -134.5 1.07 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.401 -0.812 . . . . 0.0 109.778 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -84.51 -5.4 59.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 110.468 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -80.33 81.28 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.863 -1.148 . . . . 0.0 109.78 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -70.0 -23.8 63.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.17 -0.956 . . . . 0.0 109.154 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.4 -40.07 89.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 0.0 109.798 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.72 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 36' ' ' ILE . 35.3 ttm -60.72 -49.05 79.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 109.615 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.37 -38.39 71.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.158 -0.964 . . . . 0.0 110.194 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.08 -1.013 . . . . 0.0 110.843 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.56 -39.89 73.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.941 -1.1 . . . . 0.0 110.732 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.59 -4.55 47.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.104 -0.998 . . . . 0.0 109.441 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.8 m120 52.19 49.4 20.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 0.0 110.189 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 mt -116.74 161.27 33.02 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.452 -0.78 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -70.62 160.7 48.58 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.422 1.415 . . . . 0.0 110.924 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.42 -20.45 33.03 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.198 1.932 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -50.1 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.326 -0.859 . . . . 0.0 110.141 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.27 -44.81 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 111.147 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.847 -1.158 . . . . 0.0 109.96 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.06 -39.98 87.89 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.291 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.77 -40.16 96.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 110.5 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.7 mt -60.38 -41.57 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.28 -40.05 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.536 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.58 -22.09 63.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.457 -0.777 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 m -91.91 -38.38 12.33 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.928 -1.107 . . . . 0.0 109.406 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.4 t -59.55 127.71 33.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -78.43 -27.09 46.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.08 -40.64 64.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.956 -1.09 . . . . 0.0 110.104 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -86.2 -1.23 57.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.068 . . . . 0.0 109.905 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.9 tp-100 -70.09 -59.97 2.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.112 -0.992 . . . . 0.0 110.451 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.247 -0.908 . . . . 0.0 109.593 -179.524 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 70.4 mt -102.08 140.04 36.89 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.571 -0.705 . . . . 0.0 110.798 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 56.7 t0 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.94 -10.16 0.26 Allowed Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 30.1 mt -59.91 -32.34 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -1.117 . . . . 0.0 108.634 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 89.1 m-20 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.184 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.41 85.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.421 -0.799 . . . . 0.0 109.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.26 -33.75 69.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.837 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.03 -44.72 94.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.977 -1.077 . . . . 0.0 109.829 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' B' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.47 86.14 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.003 -1.061 . . . . 0.0 110.062 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -89.98 1.44 56.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.87 -40.07 41.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.026 -1.046 . . . . 0.0 109.46 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.419 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 68.7 mttm -63.08 -36.76 84.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 110.226 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -85.99 -19.4 30.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.881 -1.137 . . . . 0.0 109.559 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 31.4 m80 58.08 -134.44 1.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.731 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.6 m -84.57 -5.29 59.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.35 81.18 6.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.143 . . . . 0.0 109.806 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -69.95 -23.85 63.26 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.168 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -40.07 89.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.848 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.53 94.98 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.245 -0.909 . . . . 0.0 108.949 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.504 ' SD ' HD12 ' B' ' 36' ' ' ILE . 35.3 ttm -60.75 -49.16 78.6 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.343 -0.848 . . . . 0.0 109.565 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.23 -38.45 71.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -0.961 . . . . 0.0 110.233 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.63 88.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.02 -1.05 . . . . 0.0 110.78 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.57 -39.93 73.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.982 -1.074 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -94.55 -4.53 47.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.105 -0.997 . . . . 0.0 109.472 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 52.11 49.35 20.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.87 . . . . 0.0 110.167 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 mt -116.68 161.31 32.72 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.433 -0.792 . . . . 0.0 109.098 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.6 160.62 48.85 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.389 1.392 . . . . 0.0 110.834 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.39 -20.51 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.147 1.898 . . . . 0.0 111.047 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.198 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.24 -44.48 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.966 -1.084 . . . . 0.0 111.144 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.65 80.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.79 -1.194 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.12 -39.87 87.77 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.341 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.96 -39.98 96.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.504 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.7 mt -60.43 -41.66 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.781 -1.2 . . . . 0.0 108.062 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.23 -40.07 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.3 63.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.579 -0.701 . . . . 0.0 109.986 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -91.68 -38.42 12.43 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.925 -1.11 . . . . 0.0 109.5 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.47 127.72 33.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 108.51 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -78.51 -26.95 46.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 110.373 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.17 -40.55 64.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.834 -1.166 . . . . 0.0 110.159 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.3 m -86.27 -1.33 57.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 109.921 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.99 -60.09 2.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.074 -1.016 . . . . 0.0 110.446 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 -179.429 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -99.33 140.02 34.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.537 -0.727 . . . . 0.0 110.857 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.14 -39.9 87.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.4 -12.35 0.18 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.6 mt -59.93 -35.56 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.272 -1.134 . . . . 0.0 108.642 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.9 -40.08 87.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.22 -39.13 93.75 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.26 79.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.01 -41.82 92.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 109.158 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.74 -39.95 93.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.414 -0.804 . . . . 0.0 110.03 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.96 1.88 56.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.317 -0.864 . . . . 0.0 110.611 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -50.66 -42.15 56.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.907 -1.121 . . . . 0.0 109.187 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.78 -38.67 86.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.346 -0.847 . . . . 0.0 109.603 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 50.4 tptt -59.93 -40.04 87.58 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.423 -0.798 . . . . 0.0 109.598 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.14 -14.52 43.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.993 -1.067 . . . . 0.0 109.761 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.7 0.95 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.252 -0.905 . . . . 0.0 110.229 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m -84.9 -2.46 57.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.476 -0.765 . . . . 0.0 110.005 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.82 72.39 6.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.69 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.88 -26.17 64.06 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.811 . . . . 0.0 108.984 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.49 -40.11 90.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.305 -0.872 . . . . 0.0 109.596 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.92 -44.88 79.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.627 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.87 -40.42 97.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.96 84.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 50.4 m -68.65 -35.26 77.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.458 -0.776 . . . . 0.0 110.223 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.16 -42.93 75.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.98 . . . . 0.0 109.458 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.68 -0.04 56.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.492 -0.755 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 51.16 49.95 20.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.116 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -116.98 152.29 48.53 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.582 -0.699 . . . . 0.0 109.12 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.03 152.05 45.48 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.002 1.802 . . . . 0.0 112.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.4 -25.75 0.3 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.507 2.138 . . . . 0.0 113.524 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -50.18 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 0.0 110.398 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.31 -41.74 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.101 -0.999 . . . . 0.0 109.841 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.04 83.49 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.19 -0.944 . . . . 0.0 109.06 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -60.28 -40.12 89.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.083 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -64.26 -40.19 95.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.428 -0.795 . . . . 0.0 110.299 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.53 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.11 -40.07 82.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.58 -18.98 34.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.716 -0.615 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -92.22 -46.68 7.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 0.0 108.744 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -59.93 128.12 35.27 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.96 -26.15 40.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.001 -1.062 . . . . 0.0 110.447 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.38 -44.74 50.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.066 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.28 -26.16 42.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.6 tt0 -74.85 -64.99 0.93 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.13 . . . . 0.0 109.517 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 108.942 179.757 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.46 140.02 34.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.547 -0.72 . . . . 0.0 110.867 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.1 m-20 -60.11 -39.88 87.74 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.39 -12.28 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' B' ' 3' ' ' ASP . 49.8 mt -59.91 -35.63 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.375 -1.074 . . . . 0.0 108.647 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.13 -39.24 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.3 79.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.589 -0.695 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.03 -41.68 92.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.104 -0.997 . . . . 0.0 109.139 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -40.06 93.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.421 -0.799 . . . . 0.0 110.077 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.87 1.86 56.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.563 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -50.66 -42.23 56.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 0.0 109.153 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.67 -38.58 85.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.291 -0.881 . . . . 0.0 109.706 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 50.4 tptt -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 109.518 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.09 -14.53 44.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.732 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' B' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.62 0.95 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.128 -0.983 . . . . 0.0 110.244 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -84.94 -2.37 57.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.322 -0.861 . . . . 0.0 110.028 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -79.78 72.23 6.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.055 . . . . 0.0 108.81 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.75 -26.17 64.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.384 -0.823 . . . . 0.0 109.021 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.58 -40.13 90.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.87 79.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 109.696 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.4 ttp -62.78 -40.47 97.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.636 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.01 84.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.919 -1.113 . . . . 0.0 109.166 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 50.0 m -68.55 -35.44 77.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.487 -0.758 . . . . 0.0 110.142 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -68.92 -43.02 76.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.66 -0.03 56.26 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.9 m120 51.2 49.95 20.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -116.98 152.15 48.35 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.435 -0.79 . . . . 0.0 109.104 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.95 152.1 45.96 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.01 1.807 . . . . 0.0 111.949 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.52 -25.79 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.604 2.203 . . . . 0.0 113.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -50.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.902 -1.124 . . . . 0.0 110.42 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.16 -41.59 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.125 -0.984 . . . . 0.0 109.972 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.94 83.97 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -60.51 -39.93 89.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.341 -0.849 . . . . 0.0 109.043 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -40.14 95.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.255 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.68 -40.06 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.28 -40.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.0 34.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.746 -0.596 . . . . 0.0 109.699 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -92.16 -46.78 7.58 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 108.71 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.03 128.13 35.31 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.01 -26.08 39.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.026 -1.046 . . . . 0.0 110.4 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.31 -44.77 51.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.969 -1.082 . . . . 0.0 110.094 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.29 -26.16 42.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 110.368 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -74.8 -65.28 0.89 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.915 -1.116 . . . . 0.0 109.514 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 108.871 179.799 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.0 139.62 34.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.378 -0.826 . . . . 0.0 110.779 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 27.0 p-10 -60.54 -40.07 90.23 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -48.98 -10.65 0.14 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 35.2 mt -59.93 -32.12 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.23 -1.159 . . . . 0.0 108.516 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.92 -39.92 87.09 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.45 -39.03 93.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 109.222 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.68 69.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.05 -40.6 89.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.941 -1.099 . . . . 0.0 109.008 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.3 -39.3 86.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.543 -0.723 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.96 0.97 56.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.207 -0.933 . . . . 0.0 110.128 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.58 -47.42 57.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.133 -0.979 . . . . 0.0 109.089 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 43.3 mp0 -60.37 -39.23 86.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.0 108.9 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.1 tttt -61.22 -39.81 91.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.205 -0.935 . . . . 0.0 109.017 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.88 -15.68 43.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.928 . . . . 0.0 109.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 30.8 m80 58.07 -136.02 0.98 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.419 -0.8 . . . . 0.0 109.902 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -84.61 -2.29 57.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.802 . . . . 0.0 110.017 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.36 80.2 6.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.077 -1.015 . . . . 0.0 109.639 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.47 -23.51 62.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.945 . . . . 0.0 109.842 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.61 -41.74 95.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.149 -0.969 . . . . 0.0 110.268 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.16 90.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.363 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.9 ttm -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.297 -0.877 . . . . 0.0 109.287 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.52 -40.62 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 110.056 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -67.28 -39.64 86.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.7 -40.86 76.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.143 -0.973 . . . . 0.0 110.661 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -98.44 1.28 46.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.336 -0.852 . . . . 0.0 109.337 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.1 m120 52.39 47.88 23.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 110.153 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 19.5 mt -114.36 154.41 46.43 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.45 -0.781 . . . . 0.0 109.218 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.39 159.95 48.07 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.102 1.868 . . . . 0.0 111.31 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.53 -24.8 23.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 112.356 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.79 -50.24 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.1 -1.0 . . . . 0.0 110.448 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.67 -43.42 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 111.127 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.17 74.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.849 -1.157 . . . . 0.0 109.713 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.22 -39.96 88.5 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.404 -0.81 . . . . 0.0 109.129 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.01 -40.05 94.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.568 -0.708 . . . . 0.0 110.032 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.7 mt -60.13 -41.9 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.84 -1.162 . . . . 0.0 108.279 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -40.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.42 -21.17 63.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.69 -0.631 . . . . 0.0 109.954 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -88.64 -45.18 10.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.236 -0.915 . . . . 0.0 109.528 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.1 t -58.72 126.18 26.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.155 -0.965 . . . . 0.0 108.617 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -77.33 -24.59 50.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.054 -1.029 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -72.46 -40.13 67.23 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.695 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.17 1.53 52.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.056 -1.028 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.6 tp-100 -77.63 -70.18 0.49 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -0.984 . . . . 0.0 108.725 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 109.093 179.422 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -98.95 139.94 33.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -0.879 . . . . 0.0 110.789 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 26.1 p-10 -60.9 -39.82 90.74 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -49.12 -10.84 0.17 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 35.2 mt -59.85 -31.77 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -1.094 . . . . 0.0 108.78 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.32 -39.81 88.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.34 -39.49 93.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.489 -0.757 . . . . 0.0 109.154 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.21 69.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 109.566 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.92 -40.17 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.101 -1.0 . . . . 0.0 109.058 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.79 -39.1 87.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.293 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.97 0.66 56.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.151 -0.968 . . . . 0.0 109.96 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -50.4 -47.33 56.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.131 -0.981 . . . . 0.0 109.278 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 45.8 mp0 -60.3 -39.29 86.43 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.27 -0.894 . . . . 0.0 109.163 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.2 tttt -61.22 -39.63 90.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 0.0 109.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -85.12 -16.07 41.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.309 -0.869 . . . . 0.0 108.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 32.8 m80 58.36 -135.93 0.94 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.564 -0.71 . . . . 0.0 109.861 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -84.45 -2.43 57.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.064 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.24 80.24 6.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 109.71 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -70.73 -23.22 62.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.077 -1.014 . . . . 0.0 109.713 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.77 -41.78 96.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.898 . . . . 0.0 110.156 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.17 90.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.454 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.8 ttm -60.76 -44.37 96.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.244 -0.91 . . . . 0.0 109.311 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.84 -40.3 88.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 0.0 109.872 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -67.42 -39.7 85.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.234 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.01 -40.75 75.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 110.515 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.2 1.41 47.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.6 m120 52.59 47.47 24.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 110.106 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 19.5 mt -114.0 154.25 46.07 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.425 -0.797 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.86 159.95 49.16 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.058 1.839 . . . . 0.0 111.25 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.76 -24.49 23.67 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.529 2.153 . . . . 0.0 112.261 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -50.24 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.067 -1.02 . . . . 0.0 110.392 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.55 -43.54 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.982 -1.074 . . . . 0.0 111.113 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.12 74.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.108 . . . . 0.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.21 -40.02 88.64 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.434 -0.792 . . . . 0.0 109.101 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.08 -40.04 94.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.84 . . . . 0.0 110.0 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.454 HD12 ' SD ' ' B' ' 22' ' ' MET . 85.0 mt -60.17 -42.31 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.924 -1.11 . . . . 0.0 108.297 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -21.68 64.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.546 -0.721 . . . . 0.0 109.973 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -88.41 -44.77 10.51 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.306 -0.871 . . . . 0.0 109.595 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.13 126.34 27.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.937 -1.102 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.33 -24.47 50.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.946 -1.096 . . . . 0.0 109.871 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -72.52 -39.91 67.22 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.069 -1.019 . . . . 0.0 109.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.61 1.6 53.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 109.648 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 53.9 tp60 -77.58 -70.28 0.48 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.028 -1.045 . . . . 0.0 108.523 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.488 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.506 0.67 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.4 mt -99.21 142.47 30.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.466 -0.771 . . . . 0.0 110.25 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 86.0 m-20 -60.04 -39.5 86.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.36 -15.56 0.25 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.964 -1.655 . . . . 0.0 108.964 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 69.4 mt -60.48 -40.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.318 -1.107 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.31 -39.95 94.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.782 . . . . 0.0 108.944 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.92 -35.48 78.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.796 . . . . 0.0 109.046 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB1' ' SD ' ' A' ' 22' ' ' MET . . . -59.79 -36.2 76.24 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.217 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.08 -42.96 95.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.038 -1.039 . . . . 0.0 109.062 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.56 -39.96 93.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.449 -0.782 . . . . 0.0 110.071 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -92.34 1.09 57.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.273 -0.892 . . . . 0.0 110.647 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -49.35 -44.53 44.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.907 -1.121 . . . . 0.0 109.361 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.354 -0.841 . . . . 0.0 109.486 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 80.3 tttt -62.57 -38.41 89.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 110.63 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.5 -10.99 57.98 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.839 -1.163 . . . . 0.0 110.034 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 25.1 m80 59.01 -137.19 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 109.717 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -87.63 1.43 53.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.872 . . . . 0.0 110.085 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 76.11 9.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.16 -25.9 63.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.807 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.07 -40.77 90.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.692 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.79 82.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 109.017 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.4 ' SD ' ' HB1' ' A' ' 8' ' ' ALA . 59.2 ttp -62.27 -41.77 98.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.378 -0.826 . . . . 0.0 109.771 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.49 -39.81 81.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.98 . . . . 0.0 109.122 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.81 -38.66 86.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.435 -0.791 . . . . 0.0 110.036 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.98 -39.93 75.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.11 -0.02 50.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.102 -0.999 . . . . 0.0 108.922 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.4 m120 53.58 47.42 23.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.398 -0.814 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' PRO . 45.2 mt -119.58 121.98 29.58 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.519 -0.738 . . . . 0.0 109.867 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 28' ' ' LEU . 71.4 Cg_exo -47.37 178.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.322 1.348 . . . . 0.0 111.485 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -64.93 -21.56 63.82 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.346 2.03 . . . . 0.0 113.339 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.46 -60.53 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.854 -1.154 . . . . 0.0 110.424 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.21 -40.66 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.581 -0.699 . . . . 0.0 110.54 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.76 84.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.968 -1.083 . . . . 0.0 109.378 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.482 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.03 -40.4 95.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 0.0 110.491 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.52 -40.72 85.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.99 -40.1 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.83 -18.66 60.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.749 -0.594 . . . . 0.0 110.362 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -94.26 -37.78 11.35 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.858 -1.151 . . . . 0.0 110.054 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.02 134.55 57.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.041 -1.037 . . . . 0.0 108.848 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.49 -32.7 48.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.8 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -71.24 -41.13 70.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.018 -1.051 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -84.99 5.66 28.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.023 -1.048 . . . . 0.0 109.7 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.5 tp-100 -77.42 -70.11 0.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.162 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 108.757 179.709 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.535 0.683 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.64 142.44 31.12 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.636 -0.665 . . . . 0.0 110.284 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' B' ' 5' ' ' ILE . 86.3 m-20 -59.93 -39.63 86.17 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.13 -16.06 0.23 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 3' ' ' ASP . 68.9 mt -60.12 -40.03 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.447 -1.031 . . . . 0.0 108.318 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.44 -39.91 94.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.448 -0.783 . . . . 0.0 109.022 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.68 -35.77 79.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.187 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' SD ' ' B' ' 22' ' ' MET . . . -59.71 -36.1 75.86 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.421 -0.8 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.91 -42.99 95.09 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.0 93.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.441 -0.787 . . . . 0.0 110.125 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.34 1.07 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.231 -0.918 . . . . 0.0 110.561 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -49.14 -44.81 42.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.153 . . . . 0.0 109.402 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.03 -39.08 84.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.371 -0.831 . . . . 0.0 109.496 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.428 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 80.3 tttt -62.55 -38.53 90.41 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.504 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -83.33 -11.21 57.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.851 -1.156 . . . . 0.0 110.032 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 24.5 m80 59.1 -137.55 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.659 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.9 m -87.31 1.24 53.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.457 -0.777 . . . . 0.0 110.151 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 75.92 9.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.05 -25.92 63.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.132 -0.98 . . . . 0.0 109.841 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.88 . . . . 0.0 109.725 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.59 82.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.298 -0.876 . . . . 0.0 108.971 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.405 ' SD ' ' HB1' ' B' ' 8' ' ' ALA . 59.3 ttp -62.38 -41.69 98.84 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.461 -0.774 . . . . 0.0 109.786 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.46 -40.01 81.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.168 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.5 -39.05 88.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 0.0 110.073 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.68 -40.1 76.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.085 -1.009 . . . . 0.0 110.282 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -96.01 0.05 51.18 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 108.969 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.3 m120 53.49 47.75 23.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 29' ' ' PRO . 45.0 mt -119.98 121.91 29.33 Favored Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.509 -0.744 . . . . 0.0 109.695 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' B' ' 28' ' ' LEU . 72.0 Cg_exo -47.36 178.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.501 1.467 . . . . 0.0 111.438 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.96 -21.5 63.76 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.308 2.005 . . . . 0.0 113.421 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.46 -60.78 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.0 -40.49 78.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.57 -0.706 . . . . 0.0 110.638 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.72 84.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 109.456 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.207 -0.933 . . . . 0.0 109.354 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.04 -40.27 95.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.38 -0.825 . . . . 0.0 110.416 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.57 -40.84 85.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.911 -1.118 . . . . 0.0 108.039 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.86 -40.08 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.59 60.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.694 -0.629 . . . . 0.0 110.468 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.1 m -94.23 -37.92 11.3 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.866 -1.146 . . . . 0.0 110.061 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.79 134.73 57.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.108 -0.995 . . . . 0.0 108.81 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.7 -32.82 47.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.24 -40.78 70.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.937 -1.102 . . . . 0.0 110.1 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.29 5.57 29.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.766 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -77.32 -69.94 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.191 -0.943 . . . . 0.0 109.168 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 108.704 179.82 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.44 32.14 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.946 0.879 . . . . 0.0 111.308 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.2 m-20 -59.99 -35.93 76.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 -10.96 0.25 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 32.1 mt -60.0 -40.01 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.481 -1.011 . . . . 0.0 108.983 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.01 -39.66 86.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.63 -39.23 90.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.346 -0.846 . . . . 0.0 109.283 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.18 73.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 0.0 109.916 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.93 -40.08 87.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.84 -40.11 91.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.275 -0.891 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.87 8.94 44.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.894 . . . . 0.0 110.862 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.09 -44.34 51.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.701 -1.249 . . . . 0.0 108.934 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.09 -38.98 84.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -0.813 . . . . 0.0 109.617 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.344 -0.848 . . . . 0.0 110.263 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.92 -18.92 31.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.125 . . . . 0.0 109.602 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 57.06 -125.34 1.82 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.009 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -86.24 -5.72 59.13 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 110.575 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -77.92 69.43 4.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.827 -1.171 . . . . 0.0 109.288 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.95 -20.13 63.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.12 -0.987 . . . . 0.0 108.578 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.46 -39.96 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 109.116 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.87 90.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.416 -0.803 . . . . 0.0 108.956 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.7 ttm -59.97 -48.51 81.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 21.1 t -66.16 -37.95 86.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 110.084 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -70.01 -39.96 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.466 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.08 -0.02 42.69 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 9.1 m120 53.19 48.88 21.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.4 mt -118.53 151.52 49.84 Favored Pre-proline 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 109.228 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.1 154.64 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.108 1.872 . . . . 0.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -41.13 -24.3 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.777 2.318 . . . . 0.0 113.971 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -50.01 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.884 -1.135 . . . . 0.0 110.597 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.2 -41.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.11 -0.993 . . . . 0.0 111.247 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.47 75.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.792 -1.193 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.04 -39.94 87.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.56 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.085 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -60.82 -43.91 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.937 -1.102 . . . . 0.0 108.75 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.29 -38.08 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.22 -24.87 65.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.64 -0.662 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.87 -30.04 16.38 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.658 -1.276 . . . . 0.0 110.219 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.41 134.99 57.51 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.973 -1.079 . . . . 0.0 108.498 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.05 -27.05 48.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -74.24 -40.04 62.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.1 -1.0 . . . . 0.0 109.912 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.28 -1.27 56.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.111 -0.993 . . . . 0.0 110.342 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.7 tp-100 -68.53 -54.71 15.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.958 -1.089 . . . . 0.0 109.667 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.327 -0.858 . . . . 0.0 109.87 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.52 32.02 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.905 0.86 . . . . 0.0 111.277 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -59.97 -36.14 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.35 -11.1 0.23 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' B' ' 3' ' ' ASP . 32.1 mt -59.94 -40.03 81.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.587 -0.949 . . . . 0.0 108.95 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.98 -39.8 86.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.395 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.5 -39.24 90.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.407 -0.808 . . . . 0.0 109.246 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.05 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.0 109.882 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.04 -40.08 88.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.965 -1.085 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.86 -40.06 91.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 0.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.86 8.94 44.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.323 -0.861 . . . . 0.0 110.844 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -50.29 -44.23 53.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.778 -1.201 . . . . 0.0 108.986 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.497 -0.752 . . . . 0.0 109.729 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 110.216 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -85.77 -19.02 31.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.869 -1.144 . . . . 0.0 109.615 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.15 -125.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.79 . . . . 0.0 110.009 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -86.42 -5.84 59.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.238 -0.914 . . . . 0.0 110.483 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -77.76 69.42 4.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.298 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -69.91 -20.21 63.37 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.257 -0.902 . . . . 0.0 108.574 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -60.48 -40.0 89.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.101 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.86 91.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 108.898 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.539 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.6 ttm -60.06 -48.62 80.97 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.367 -0.833 . . . . 0.0 109.404 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.57 -40.04 86.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.858 . . . . 0.0 109.491 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.413 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 21.4 t -66.38 -37.81 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -69.98 -40.09 75.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.376 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.03 0.07 43.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.28 -0.888 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.1 m120 53.13 48.86 21.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 110.285 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.4 mt -118.59 151.45 49.82 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 121.339 -0.851 . . . . 0.0 109.264 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.1 154.61 57.37 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.163 1.909 . . . . 0.0 112.015 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.97 -24.54 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.799 2.333 . . . . 0.0 113.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -49.86 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.871 -1.143 . . . . 0.0 110.505 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.08 -41.28 45.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.048 -1.033 . . . . 0.0 111.274 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.47 75.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.882 -1.136 . . . . 0.0 109.974 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -59.97 -39.96 87.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.585 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.06 -40.25 88.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -0.873 . . . . 0.0 109.949 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.5 mt -60.79 -43.73 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.979 -1.076 . . . . 0.0 108.781 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.32 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.72 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.704 -0.622 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.89 -29.86 16.47 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.679 -1.263 . . . . 0.0 110.281 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.61 134.92 57.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 108.436 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.99 -27.01 48.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.015 -1.053 . . . . 0.0 109.965 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -74.22 -39.98 62.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.975 . . . . 0.0 109.898 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.23 -1.46 56.95 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.131 -0.98 . . . . 0.0 110.381 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.41 -54.61 16.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.964 -1.085 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.887 179.89 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.427 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 71.0 mt -114.71 142.7 46.15 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 121.65 0.738 . . . . 0.0 110.469 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.1 m-20 -60.04 -39.13 84.89 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -13.16 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 54.6 mt -60.14 -36.42 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.348 -1.089 . . . . 0.0 108.53 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -60.03 -40.04 87.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.97 -39.86 95.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.72 77.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.478 -0.763 . . . . 0.0 109.939 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.97 -41.1 91.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.08 . . . . 0.0 108.75 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -36.94 85.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.443 -0.786 . . . . 0.0 109.973 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.89 1.27 57.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.161 -0.962 . . . . 0.0 110.723 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.41 -45.97 36.76 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.823 -1.173 . . . . 0.0 109.46 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.27 -40.03 88.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 109.737 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.5 tttt -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -0.976 . . . . 0.0 109.843 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.83 -10.22 58.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.985 -1.072 . . . . 0.0 109.229 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.8 m80 59.32 -140.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.14 -1.21 54.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.199 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.99 74.51 6.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 0.0 108.93 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -69.99 -25.35 63.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.301 -0.874 . . . . 0.0 109.778 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.71 -40.5 92.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.424 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.41 84.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.95 -46.17 91.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.376 -0.827 . . . . 0.0 109.375 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.27 -40.81 82.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.008 -1.058 . . . . 0.0 109.508 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -64.5 -38.82 92.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.865 . . . . 0.0 110.101 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.29 -39.95 78.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.46 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.01 0.04 51.15 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.2 -0.937 . . . . 0.0 109.091 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.3 m120 51.63 47.84 24.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.34 -0.85 . . . . 0.0 110.393 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.3 153.15 44.17 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 66.3 Cg_endo -73.34 147.28 41.49 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.039 1.826 . . . . 0.0 111.734 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.49 -24.38 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.307 2.005 . . . . 0.0 112.951 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -59.99 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.816 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.32 -41.44 50.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.77 68.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -0.965 . . . . 0.0 109.501 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.14 -39.96 88.15 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.146 -0.971 . . . . 0.0 109.16 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.58 96.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.827 . . . . 0.0 110.043 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.54 -40.58 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.01 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.77 -20.43 49.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.692 -0.63 . . . . 0.0 109.846 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -87.99 -44.36 11.06 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 109.228 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.1 129.88 44.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.244 -0.91 . . . . 0.0 108.666 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -77.76 -24.69 48.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.118 -0.989 . . . . 0.0 110.005 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -77.92 -48.7 15.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.14 -0.975 . . . . 0.0 111.111 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.9 m -77.97 -29.76 49.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.054 -1.029 . . . . 0.0 110.81 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.0 tt0 -69.91 -55.34 9.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.845 -1.159 . . . . 0.0 109.668 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.162 -0.962 . . . . 0.0 108.984 179.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.436 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 69.9 mt -114.76 142.7 46.18 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.617 0.722 . . . . 0.0 110.509 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 89.2 m-20 -60.03 -39.09 84.7 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -13.27 0.27 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 55.2 mt -60.04 -36.38 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.336 -1.097 . . . . 0.0 108.568 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -63.23 -39.66 95.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.54 77.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.386 -0.822 . . . . 0.0 109.909 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.16 -40.97 91.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.917 -1.114 . . . . 0.0 108.796 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.85 85.11 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.906 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.99 1.47 57.29 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.239 -0.913 . . . . 0.0 110.694 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 t -48.49 -46.08 37.76 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 109.497 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.413 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.5 tttt -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.884 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -83.98 -10.07 58.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.994 -1.066 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.9 m80 59.35 -140.23 0.69 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.595 -0.69 . . . . 0.0 110.093 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.24 -1.25 54.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.0 74.43 6.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 108.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.04 -25.37 63.52 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.377 -0.827 . . . . 0.0 109.728 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.44 91.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.495 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.31 84.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.01 -46.07 92.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.364 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.43 -40.66 83.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.051 -1.031 . . . . 0.0 109.435 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -64.57 -38.98 92.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.052 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.13 -40.03 78.52 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.0 110.451 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.95 0.05 51.36 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.111 -0.993 . . . . 0.0 109.15 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.3 m120 51.43 47.86 24.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.44 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -111.33 153.23 44.16 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' B' ' 31' ' ' VAL . 66.1 Cg_endo -73.35 147.28 41.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.145 1.897 . . . . 0.0 111.802 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -40.58 -24.24 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.386 2.057 . . . . 0.0 112.876 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.2 t -59.94 -50.05 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.09 -1.006 . . . . 0.0 109.84 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.41 -41.36 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.76 68.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 109.51 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.7 97.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.521 -0.737 . . . . 0.0 109.893 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.56 -40.53 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.13 -40.03 85.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -20.44 48.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.66 -0.65 . . . . 0.0 109.86 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -87.91 -44.7 10.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 109.187 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.7 t -58.81 129.95 44.61 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 108.672 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -77.92 -24.7 48.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.064 -1.022 . . . . 0.0 109.971 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -77.9 -48.58 16.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.135 -0.978 . . . . 0.0 111.18 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.8 m -78.09 -29.81 49.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.007 -1.058 . . . . 0.0 110.837 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.69 -55.67 9.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.958 -1.089 . . . . 0.0 109.78 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.0 108.956 179.841 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.32 144.13 26.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.587 0.708 . . . . 0.0 110.6 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.1 87.88 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.68 -14.68 0.41 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 3' ' ' ASP . 67.9 mt -59.98 -43.17 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.24 -1.153 . . . . 0.0 108.488 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.8 -40.07 96.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.94 -39.86 95.12 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.57 71.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.97 -42.39 94.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.17 -40.0 92.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.513 -0.742 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.4 7.22 43.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.315 -0.866 . . . . 0.0 110.197 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.78 -39.94 53.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.062 -1.024 . . . . 0.0 109.231 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.63 -39.0 86.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.387 -0.821 . . . . 0.0 110.505 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.15 -40.04 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.19 -13.02 39.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.933 -1.105 . . . . 0.0 109.522 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 58.58 -135.39 0.94 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -86.66 0.02 55.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 109.795 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 80.46 6.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.965 -1.085 . . . . 0.0 109.216 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.96 -26.38 64.08 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.505 -0.747 . . . . 0.0 109.684 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.1 -41.75 93.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.146 -0.971 . . . . 0.0 110.151 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.84 81.32 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 109.21 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.2 ttp -62.36 -43.66 98.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.916 . . . . 0.0 109.525 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.42 -40.44 86.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -63.24 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.927 . . . . 0.0 109.947 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.17 -40.04 74.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.73 0.04 52.01 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.231 -0.918 . . . . 0.0 109.681 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.8 m120 50.9 44.99 28.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 mt -110.66 115.03 54.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.514 -0.741 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' VAL . 85.8 Cg_exo -46.8 149.76 2.96 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.468 1.445 . . . . 0.0 111.472 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -39.81 -19.87 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.541 2.16 . . . . 0.0 113.409 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.3 t -60.03 -53.49 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 110.915 -178.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.11 -37.85 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 110.43 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.47 89.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.822 -1.174 . . . . 0.0 108.528 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.36 -40.0 89.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.504 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.897 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.01 -40.73 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.166 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.3 -40.03 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.51 56.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.529 -0.732 . . . . 0.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -87.18 -47.52 8.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.132 -0.98 . . . . 0.0 108.92 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.94 126.37 27.14 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.11 -26.16 47.87 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.176 -0.952 . . . . 0.0 109.873 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.24 -43.93 48.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.166 -0.959 . . . . 0.0 110.646 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.74 -28.75 33.18 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.966 -1.083 . . . . 0.0 110.918 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.01 -57.49 4.94 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.834 -1.166 . . . . 0.0 110.355 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.111 -0.993 . . . . 0.0 109.122 -179.694 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.14 144.24 25.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.499 -0.751 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.24 88.34 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -14.61 0.39 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' ASP . 67.1 mt -60.03 -43.04 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.0 108.495 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.95 -40.01 96.38 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.78 -39.93 95.46 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -34.68 71.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.652 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.18 -39.93 92.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.537 -0.727 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.42 7.37 43.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.27 -0.893 . . . . 0.0 110.203 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.78 -40.08 54.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.015 . . . . 0.0 109.166 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.51 -39.14 86.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.11 -40.06 92.35 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 0.0 110.391 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.15 -12.67 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 109.615 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 58.45 -135.34 0.96 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.86 . . . . 0.0 109.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -86.57 -0.13 55.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -0.84 . . . . 0.0 109.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.06 80.71 6.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.957 -1.089 . . . . 0.0 109.09 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.03 -26.25 63.95 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.424 -0.798 . . . . 0.0 109.697 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 0.0 110.152 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.91 80.76 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.037 -1.04 . . . . 0.0 109.213 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.4 ttp -62.24 -43.9 97.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.503 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.24 -40.29 85.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 0.0 109.761 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -63.39 -39.98 95.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.933 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.27 -39.98 74.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -95.53 0.01 52.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.238 -0.914 . . . . 0.0 109.713 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.7 m120 50.81 44.96 27.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 109.692 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -110.59 114.99 54.38 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.784 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 84.9 Cg_exo -46.83 149.68 3.03 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.473 1.449 . . . . 0.0 111.478 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -39.64 -20.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.554 2.17 . . . . 0.0 113.444 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 70.4 t -60.04 -53.34 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.874 -1.141 . . . . 0.0 110.977 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.19 -37.77 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.985 -1.072 . . . . 0.0 110.423 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.58 88.93 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.904 -1.122 . . . . 0.0 108.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.26 -40.04 88.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.465 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.01 -40.34 97.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.451 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.93 -40.93 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 120.932 -1.105 . . . . 0.0 108.098 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.21 -39.99 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.567 -0.708 . . . . 0.0 109.649 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -87.33 -47.48 8.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.131 -0.981 . . . . 0.0 108.832 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -57.91 126.31 26.89 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -77.96 -26.23 48.64 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.87 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.41 -43.67 48.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 0.0 110.697 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.4 m -81.86 -28.79 32.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 110.903 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.01 -57.54 4.88 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.034 -179.815 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.9 mt -102.44 139.71 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 61.5 t0 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -12.46 0.14 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.2 mt -59.75 -31.81 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.347 -1.09 . . . . 0.0 108.233 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.68 -37.72 88.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.19 -0.944 . . . . 0.0 108.628 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.91 74.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 109.286 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 109.069 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.83 -39.97 91.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.429 -0.795 . . . . 0.0 109.978 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -90.06 1.63 56.13 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -49.32 -45.35 45.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.86 -39.46 89.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.634 -0.666 . . . . 0.0 109.586 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 109.386 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.25 -12.78 54.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -0.982 . . . . 0.0 109.513 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 57.42 -137.37 0.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.379 -0.825 . . . . 0.0 109.771 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m -83.55 -3.28 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.821 . . . . 0.0 109.654 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.81 76.56 6.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.98 -25.95 63.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.425 -0.797 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -40.12 93.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -0.918 . . . . 0.0 109.776 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.74 83.1 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.4 ttp -62.21 -41.86 98.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.956 . . . . 0.0 109.206 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.83 -39.9 78.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.169 -0.957 . . . . 0.0 109.18 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.09 -38.69 88.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.176 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -69.54 -43.85 72.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.699 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -91.56 -0.77 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.301 -0.874 . . . . 0.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m120 51.5 50.09 19.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.888 . . . . 0.0 110.111 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -119.45 152.01 52.27 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.439 -0.788 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 160.56 49.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 0.0 111.102 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.93 -24.04 23.14 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.03 -50.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.956 -1.09 . . . . 0.0 109.899 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.81 -42.61 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 0.0 109.928 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.83 72.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.553 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.38 -40.01 92.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.378 -0.826 . . . . 0.0 110.091 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.054 -1.029 . . . . 0.0 108.448 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.76 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.28 -24.05 62.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.644 -0.66 . . . . 0.0 110.555 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -93.93 -31.99 14.07 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.908 -1.12 . . . . 0.0 109.626 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.78 130.44 46.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.104 -0.998 . . . . 0.0 109.208 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.07 -38.68 63.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 111.199 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -70.85 -41.89 70.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.961 -1.087 . . . . 0.0 110.789 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -83.16 8.88 11.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.783 -1.198 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.5 tp-100 -77.85 -69.99 0.51 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.891 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.895 . . . . 0.0 109.179 -179.33 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.4 139.78 37.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.586 -0.696 . . . . 0.0 110.956 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 60.8 t0 -59.97 -39.95 87.38 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.79 -12.58 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 40.1 mt -59.71 -31.82 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.32 -1.106 . . . . 0.0 108.293 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.66 -37.9 89.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.292 -0.88 . . . . 0.0 108.693 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.82 74.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 109.235 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.01 -40.22 88.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.85 -40.01 91.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.474 -0.767 . . . . 0.0 110.011 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -89.98 1.75 55.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 110.131 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.38 -45.38 45.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.037 -1.039 . . . . 0.0 109.086 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.79 -39.44 88.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.566 -0.709 . . . . 0.0 109.591 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.252 -0.905 . . . . 0.0 109.37 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -84.24 -12.85 54.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.085 -1.01 . . . . 0.0 109.508 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 57.41 -137.34 0.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.75 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -83.6 -3.1 57.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.676 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.04 76.46 6.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.274 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.4 -40.2 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.766 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.8 83.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.335 -0.853 . . . . 0.0 109.464 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.5 ttp -62.08 -41.96 98.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.23 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -39.9 78.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 0.0 109.262 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.2 -38.56 88.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.439 -0.788 . . . . 0.0 110.128 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -69.62 -43.71 72.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 109.778 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.71 -0.68 57.57 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.412 -0.805 . . . . 0.0 109.31 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.4 m120 51.48 49.89 20.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 mt -119.39 152.04 52.16 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.411 -0.805 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.0 160.56 49.19 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.215 1.943 . . . . 0.0 111.081 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.0 -24.03 23.46 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.618 2.212 . . . . 0.0 112.744 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.94 -50.12 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.924 -1.11 . . . . 0.0 109.911 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.69 -42.67 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.881 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.72 72.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.165 -0.959 . . . . 0.0 109.742 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.43 -40.04 92.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.365 -0.835 . . . . 0.0 110.114 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.1 -40.09 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.054 -1.029 . . . . 0.0 108.424 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.72 -40.02 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.4 -23.9 62.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.551 -0.718 . . . . 0.0 110.562 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.3 m -93.91 -32.05 14.05 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.927 -1.108 . . . . 0.0 109.542 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.65 130.34 46.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 109.158 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -74.11 -38.66 63.76 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.84 . . . . 0.0 111.159 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -70.76 -41.92 71.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.948 -1.095 . . . . 0.0 110.822 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.02 8.69 12.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.738 -1.226 . . . . 0.0 109.508 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -77.76 -70.05 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.256 -0.902 . . . . 0.0 109.811 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.129 -179.266 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.22 144.57 26.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.613 0.72 . . . . 0.0 110.593 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.9 m-20 -59.88 -40.08 87.46 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 178.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -19.59 0.29 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' ASP . 82.7 mt -60.23 -40.65 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.398 -1.06 . . . . 0.0 108.358 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -60.03 -40.12 88.22 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -64.92 -39.41 93.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.548 -0.72 . . . . 0.0 109.126 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.67 79.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 0.0 109.822 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.0 -43.31 95.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.039 -1.038 . . . . 0.0 109.863 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.1 -39.9 87.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.89 11.51 33.52 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.277 -0.889 . . . . 0.0 110.539 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.8 -39.94 40.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.006 . . . . 0.0 109.439 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 98.9 mt-10 -60.09 -39.29 85.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 63.2 tttp -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.967 . . . . 0.0 109.934 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -86.21 -17.52 34.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.951 -1.093 . . . . 0.0 109.494 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 27.3 m80 58.67 -137.63 0.83 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.115 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -83.98 -3.03 57.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.032 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.67 76.92 8.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.915 -1.115 . . . . 0.0 109.477 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.56 -17.11 61.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.214 -0.928 . . . . 0.0 109.536 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 20' ' ' ARG . 20.0 mmm-85 -60.04 -49.62 76.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.0 109.093 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.6 97.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.548 -0.72 . . . . 0.0 109.27 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -61.48 -46.71 88.85 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.307 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.13 -39.97 84.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.058 -1.026 . . . . 0.0 109.64 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -66.74 -37.76 85.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 0.0 110.153 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.084 -1.01 . . . . 0.0 109.619 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -95.15 -0.11 53.66 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.8 m120 50.86 49.11 21.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.255 -0.903 . . . . 0.0 110.139 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.48 152.25 46.87 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 121.385 -0.822 . . . . 0.0 109.422 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.93 160.15 50.69 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.117 1.878 . . . . 0.0 110.56 178.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.09 -20.88 20.04 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.406 2.071 . . . . 0.0 111.55 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.02 -55.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.034 -1.041 . . . . 0.0 110.139 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -72.57 -42.1 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.253 -0.905 . . . . 0.0 110.406 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.79 72.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 0.0 109.686 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -60.07 -40.06 88.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.264 -0.897 . . . . 0.0 109.336 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.67 -40.5 92.34 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.473 -0.767 . . . . 0.0 110.145 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.07 -43.45 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.038 -1.039 . . . . 0.0 108.463 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.74 -39.97 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -19.67 45.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.695 -0.628 . . . . 0.0 110.295 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -91.76 -41.98 10.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.95 -1.093 . . . . 0.0 109.322 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -59.4 129.95 44.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.224 -0.922 . . . . 0.0 108.667 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.3 -36.0 61.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.276 -0.89 . . . . 0.0 110.793 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.74 -43.31 69.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.009 . . . . 0.0 110.956 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.23 -30.39 38.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.86 -1.15 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -72.63 -60.03 2.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.823 -1.173 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.084 -1.01 . . . . 0.0 109.481 -179.61 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.732 0.777 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -96.17 144.46 26.38 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.654 0.74 . . . . 0.0 110.529 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.2 m-20 -60.03 -39.92 87.53 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.62 -19.59 0.31 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' ASP . 82.6 mt -60.14 -40.84 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.37 -1.077 . . . . 0.0 108.279 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.0 -39.49 93.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.551 -0.718 . . . . 0.0 109.117 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.58 79.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.792 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.06 -43.06 95.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 109.872 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.25 -40.01 88.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 0.0 110.257 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.87 11.55 33.34 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.303 -0.873 . . . . 0.0 110.538 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -49.68 -40.04 38.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.013 -1.054 . . . . 0.0 109.51 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 98.8 mt-10 -60.04 -39.41 85.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.288 -0.883 . . . . 0.0 109.876 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.478 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 63.2 tttp -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.972 -179.04 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -86.29 -17.43 34.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 26.9 m80 58.61 -137.84 0.83 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.434 -0.791 . . . . 0.0 110.089 179.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -84.02 -2.97 57.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.934 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.54 76.79 8.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.981 -1.074 . . . . 0.0 109.415 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.64 -16.94 61.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 109.546 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' B' ' 20' ' ' ARG . 20.0 mmm-85 -60.4 -49.49 77.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.009 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -41.6 97.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.498 -0.751 . . . . 0.0 109.236 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.9 ttp -61.54 -46.62 89.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.1 -40.06 84.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.951 -1.093 . . . . 0.0 109.689 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -66.78 -37.71 85.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 110.108 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -69.15 -39.85 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.117 -0.989 . . . . 0.0 109.699 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -95.19 -0.09 53.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.9 m120 50.72 49.38 21.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.65 152.3 47.11 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.06 160.08 50.9 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.208 1.939 . . . . 0.0 110.443 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.1 -20.87 20.06 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.322 2.015 . . . . 0.0 111.558 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.94 -55.47 23.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 110.17 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.53 -41.83 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.263 -0.898 . . . . 0.0 110.44 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.81 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.957 . . . . 0.0 109.591 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.0 109.387 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.59 -40.53 92.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.488 -0.757 . . . . 0.0 110.165 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.07 -43.58 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.102 . . . . 0.0 108.439 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.78 -39.92 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.96 -19.65 45.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.845 -0.534 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -91.84 -42.07 10.28 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.957 -1.09 . . . . 0.0 109.283 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.6 t -59.45 129.73 43.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 108.586 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.15 -36.19 61.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.307 -0.87 . . . . 0.0 110.775 -179.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.57 -43.0 70.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.0 110.981 -178.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 76.1 m -80.63 -30.32 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.649 -1.282 . . . . 0.0 110.525 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.59 -59.99 2.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.678 -1.264 . . . . 0.0 110.432 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 -179.607 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.73 137.77 37.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 111.18 -178.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.6 m-20 -60.63 -39.44 88.24 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.28 -13.73 0.14 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 44.1 mt -58.69 -31.25 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -59.99 -40.12 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.04 -37.71 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.765 . . . . 0.0 108.985 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -37.17 77.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.819 . . . . 0.0 109.474 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -39.47 86.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.566 -0.709 . . . . 0.0 109.766 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -93.54 3.01 56.22 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.212 -0.93 . . . . 0.0 110.672 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.96 -47.22 52.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.73 -1.231 . . . . 0.0 109.066 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.17 -39.37 86.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.464 -0.772 . . . . 0.0 109.429 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 1.2 tmtp? -60.18 -40.03 88.56 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.278 -0.888 . . . . 0.0 109.782 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.12 -13.44 52.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.058 -1.027 . . . . 0.0 108.831 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.1 m80 58.46 -134.42 1.01 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 110.11 179.322 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.83 -7.64 59.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.263 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.71 76.87 6.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.02 -1.05 . . . . 0.0 109.797 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.28 -27.01 64.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.866 . . . . 0.0 109.83 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -60.03 -40.0 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.009 -1.057 . . . . 0.0 109.817 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 108.807 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -62.12 -43.92 97.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.343 -0.848 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.99 84.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.129 -0.982 . . . . 0.0 109.389 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -65.34 -38.43 90.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.34 -0.85 . . . . 0.0 109.911 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.87 -40.21 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.163 -0.96 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -92.7 -1.27 56.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.105 -0.997 . . . . 0.0 109.179 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.11 48.81 21.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.521 -0.737 . . . . 0.0 110.734 179.024 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.6 151.4 48.31 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.15 152.91 56.87 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.953 1.769 . . . . 0.0 112.105 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.65 -24.83 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.45 2.1 . . . . 0.0 113.02 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.74 -50.15 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.991 -1.068 . . . . 0.0 110.229 -178.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.2 -40.94 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.864 -1.147 . . . . 0.0 109.632 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.88 67.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.258 -0.902 . . . . 0.0 109.436 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.05 -39.66 86.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.135 -0.978 . . . . 0.0 109.517 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.51 -40.13 93.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.252 -0.905 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.49 -41.35 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.907 -1.121 . . . . 0.0 108.522 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.51 -39.94 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.51 -18.71 31.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.673 -0.642 . . . . 0.0 110.174 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -91.33 -44.75 8.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.849 -1.157 . . . . 0.0 108.908 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.39 127.09 30.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.0 108.86 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.86 -25.83 44.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.685 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.12 -41.67 61.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.786 -1.196 . . . . 0.0 110.375 -179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.29 -28.19 34.75 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.152 -0.968 . . . . 0.0 111.119 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.04 -58.46 3.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.152 . . . . 0.0 110.286 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.024 -1.048 . . . . 0.0 109.529 179.901 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.7 mt -99.43 137.73 37.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 111.227 -178.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.8 m-20 -60.73 -39.4 88.51 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.109 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.12 -13.73 0.12 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 179.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 44.5 mt -58.83 -31.17 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.13 -39.99 88.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -65.2 -37.91 88.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.34 77.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 109.505 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.21 -39.88 88.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.177 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.547 -0.721 . . . . 0.0 109.768 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.42 3.02 56.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.182 -0.949 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.9 -47.18 52.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.873 -1.142 . . . . 0.0 109.088 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.29 -39.38 86.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.376 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.456 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 1.3 tmtp? -60.13 -39.87 87.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.299 -0.875 . . . . 0.0 109.781 -179.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.2 -13.58 52.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.003 . . . . 0.0 108.854 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.456 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.2 m80 58.56 -134.5 0.99 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.476 -0.765 . . . . 0.0 110.092 179.281 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.81 -7.37 59.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.444 -0.785 . . . . 0.0 110.338 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.99 77.0 6.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.751 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -70.46 -26.88 63.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.431 -0.793 . . . . 0.0 109.826 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -60.04 -40.04 88.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.68 79.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 108.754 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -62.34 -43.98 97.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.222 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.1 83.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.163 -0.96 . . . . 0.0 109.449 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -65.2 -38.59 90.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.926 . . . . 0.0 109.925 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.102 -0.999 . . . . 0.0 110.545 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.46 -1.14 57.2 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.027 -1.046 . . . . 0.0 109.24 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 52.96 48.87 21.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.78 179.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.58 151.42 48.32 Favored Pre-proline 0 N--CA 1.501 2.124 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.26 152.98 56.36 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.994 1.796 . . . . 0.0 111.996 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.73 -24.71 0.28 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.511 2.141 . . . . 0.0 113.158 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.86 -50.03 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.02 -1.05 . . . . 0.0 110.07 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.29 -40.89 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.995 -1.066 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.68 68.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 109.4 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.033 -1.042 . . . . 0.0 109.411 178.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.08 -40.21 92.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.283 -0.886 . . . . 0.0 110.528 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.21 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.526 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.6 -39.92 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -19.0 32.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.766 -0.584 . . . . 0.0 110.212 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.4 m -91.31 -44.81 8.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.857 -1.152 . . . . 0.0 108.931 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.4 127.44 31.77 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.277 -0.889 . . . . 0.0 108.723 179.041 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -79.25 -25.56 42.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.962 -1.086 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.32 -41.36 61.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 110.398 -179.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.37 -28.36 34.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.068 -1.02 . . . . 0.0 111.122 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.93 -58.55 3.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.828 -1.17 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.079 -1.013 . . . . 0.0 109.475 179.876 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.492 0.663 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -98.65 140.89 32.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.583 -0.698 . . . . 0.0 110.911 -178.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.0 m-20 -59.89 -39.21 84.58 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.515 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 -14.74 0.12 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.181 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' ASP . 46.1 mt -60.03 -34.21 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.409 -1.053 . . . . 0.0 108.487 178.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.94 -39.87 87.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.63 -39.96 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.528 -0.732 . . . . 0.0 109.262 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -37.26 78.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.527 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.95 -42.24 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.061 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -39.97 92.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.76 5.52 51.37 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.13 -0.981 . . . . 0.0 110.489 -178.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -49.35 -39.99 33.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 60.2 mm-40 -60.64 -39.95 90.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.947 . . . . 0.0 109.652 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.2 tttm -60.4 -39.48 87.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.281 -0.887 . . . . 0.0 109.739 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -84.55 -16.54 41.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 22.6 m80 58.44 -135.36 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.328 -0.858 . . . . 0.0 110.144 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 m -84.87 -0.78 55.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.131 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.54 73.2 8.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 109.926 -179.382 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.93 . . . . 0.0 109.168 179.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.13 -40.37 89.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.88 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.72 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.259 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.84 -40.05 93.98 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.505 -0.747 . . . . 0.0 109.667 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.47 -41.74 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 0.0 109.647 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -65.49 -39.74 92.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.463 -179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.05 -40.04 78.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.021 -1.049 . . . . 0.0 110.179 -179.026 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -94.99 -2.27 50.74 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.019 -1.051 . . . . 0.0 109.392 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.3 m-80 51.86 50.01 19.53 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.22 -0.925 . . . . 0.0 110.14 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -117.23 151.6 48.03 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.568 -0.707 . . . . 0.0 109.255 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.82 153.8 42.98 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.032 1.821 . . . . 0.0 112.214 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -42.19 -26.58 0.55 Allowed 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.71 2.273 . . . . 0.0 112.888 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.96 -49.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.976 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -76.74 -41.26 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 110.139 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.09 66.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.515 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.02 -40.01 87.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.3 -0.875 . . . . 0.0 109.477 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.87 -40.7 96.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.43 -40.44 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.0 -39.96 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.543 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.15 -17.83 43.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.707 -0.621 . . . . 0.0 110.674 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -96.91 -36.7 10.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.79 -1.194 . . . . 0.0 110.211 -178.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 t -59.13 131.67 51.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.061 -1.024 . . . . 0.0 109.222 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.52 -34.69 63.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.274 -0.891 . . . . 0.0 110.958 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.818 -1.176 . . . . 0.0 110.172 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -87.15 0.31 55.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.087 -1.008 . . . . 0.0 110.068 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -69.85 -60.04 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.564 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.316 -0.865 . . . . 0.0 109.613 -179.766 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -98.8 140.74 32.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.567 -0.708 . . . . 0.0 110.913 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.03 -39.0 84.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.5 -14.91 0.12 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.9 mt -60.01 -34.13 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.997 . . . . 0.0 108.535 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.31 -40.01 92.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.26 79.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.64 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.0 -42.25 93.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.082 -1.011 . . . . 0.0 109.016 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.02 92.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.355 -0.84 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.61 5.54 51.27 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.182 -0.949 . . . . 0.0 110.38 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -49.35 -40.39 35.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.828 -1.17 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 59.5 mm-40 -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.843 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.461 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.46 -39.45 87.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.717 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -84.3 -17.03 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.387 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 22.1 m80 58.84 -135.13 0.92 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.5 m -85.31 -0.83 55.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.388 -0.82 . . . . 0.0 110.212 -179.151 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.27 73.06 8.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.06 -1.025 . . . . 0.0 109.926 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -28.13 65.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.159 -0.963 . . . . 0.0 109.102 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.31 -40.3 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.26 80.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.261 -0.899 . . . . 0.0 109.162 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.0 ttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.665 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -41.54 85.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 109.656 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -65.88 -39.6 90.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 110.42 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.95 -40.06 79.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.091 -1.006 . . . . 0.0 110.137 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -95.1 -1.93 51.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.248 -0.907 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.6 m-80 51.5 50.05 19.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.171 -0.956 . . . . 0.0 110.203 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 mt -116.94 151.66 47.71 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.602 -0.686 . . . . 0.0 109.29 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.74 153.56 43.23 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.147 1.898 . . . . 0.0 112.206 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.08 -26.44 0.5 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.64 2.227 . . . . 0.0 113.07 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.01 -49.98 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -0.95 . . . . 0.0 109.927 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.84 -41.3 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.109 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.97 67.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.17 -39.83 87.78 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.298 -0.877 . . . . 0.0 109.534 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.07 -40.14 94.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 110.057 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.76 -40.3 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.99 -39.98 84.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.432 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -60.15 -18.24 46.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.652 -0.655 . . . . 0.0 110.581 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -96.41 -36.46 10.82 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.861 -1.149 . . . . 0.0 110.305 -178.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.56 131.67 51.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.956 -1.09 . . . . 0.0 109.152 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -74.36 -34.79 63.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.326 -0.859 . . . . 0.0 111.031 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.0 -40.09 75.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.827 -1.17 . . . . 0.0 110.035 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 45.1 m -87.0 -0.02 55.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.035 -1.041 . . . . 0.0 110.104 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -69.69 -60.06 2.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.929 -1.107 . . . . 0.0 109.56 -179.52 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.312 -0.867 . . . . 0.0 109.535 -179.681 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 28' ' ' LEU . 61.2 mt -101.84 143.12 32.13 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.833 0.825 . . . . 0.0 111.294 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 -12.92 0.23 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.7 mt -60.98 -34.86 61.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.263 -1.139 . . . . 0.0 108.576 178.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.98 -39.25 85.06 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.02 -38.3 90.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.396 -0.815 . . . . 0.0 108.952 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.49 79.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.366 -0.834 . . . . 0.0 109.967 -179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.08 -40.92 91.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.193 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.46 -39.95 89.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.013 -1.054 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.06 1.49 57.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.175 -0.953 . . . . 0.0 110.698 -178.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.89 -43.13 28.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.843 -1.161 . . . . 0.0 109.691 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.03 -40.03 94.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.96 -39.93 93.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.41 -13.39 49.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.055 -1.028 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.74 -136.17 1.01 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.502 -0.749 . . . . 0.0 110.521 179.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 0.14 52.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.04 79.54 7.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.07 -25.12 63.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.503 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.36 73.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.231 -0.918 . . . . 0.0 109.152 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -61.34 -45.22 95.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.376 -0.827 . . . . 0.0 109.349 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 109.536 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -66.38 -37.69 85.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.519 -0.738 . . . . 0.0 109.815 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.87 -40.01 75.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.289 -0.882 . . . . 0.0 109.711 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.48 47.22 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.368 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 30.0 m120 51.15 47.66 24.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.241 -0.912 . . . . 0.0 110.34 179.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 2' ' ' LEU . 57.5 mt -112.38 131.1 22.76 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.291 -0.881 . . . . 0.0 109.77 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 96.1 Cg_exo -43.8 141.4 4.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.718 1.612 . . . . 0.0 111.931 179.025 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -39.77 -21.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.439 2.093 . . . . 0.0 113.083 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.99 -50.45 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.028 -1.045 . . . . 0.0 110.591 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.7 -41.14 62.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.858 -1.151 . . . . 0.0 110.485 -179.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.136 -0.977 . . . . 0.0 109.691 179.046 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.43 -40.41 94.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 110.187 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -40.51 83.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.17 -39.97 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.95 49.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.759 -0.588 . . . . 0.0 109.73 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -90.33 -45.6 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.123 -0.985 . . . . 0.0 108.674 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.98 126.86 29.17 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.82 -28.24 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.58 -42.95 57.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 -178.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.55 -24.37 39.31 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.08 -1.013 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.33 -48.77 66.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.829 -1.169 . . . . 0.0 110.214 -178.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' B' ' 45' ' ' LEU . 86.0 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.068 -1.02 . . . . 0.0 109.07 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.5 mt -101.88 143.13 32.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.783 0.802 . . . . 0.0 111.344 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.5 m-20 -59.97 -37.24 79.01 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -12.91 0.22 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.5 mt -61.11 -34.75 61.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.375 -1.073 . . . . 0.0 108.556 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.97 -39.32 85.26 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -63.08 -37.92 89.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.491 -0.756 . . . . 0.0 109.01 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.66 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -0.841 . . . . 0.0 109.96 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.99 -40.94 90.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.162 -0.961 . . . . 0.0 110.214 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.5 -39.95 89.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.051 -1.031 . . . . 0.0 109.907 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.91 1.37 57.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.172 -0.955 . . . . 0.0 110.682 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.77 -43.17 27.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.825 -1.172 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.0 -40.05 94.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.897 . . . . 0.0 110.27 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.93 -40.01 94.02 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.059 -1.025 . . . . 0.0 110.021 -179.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.53 -13.06 50.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.01 -1.056 . . . . 0.0 109.778 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 57.6 -136.34 1.01 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.413 -0.804 . . . . 0.0 110.53 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 t -84.91 0.06 52.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.364 -0.835 . . . . 0.0 110.119 -179.04 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.07 79.64 7.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.998 -1.064 . . . . 0.0 109.31 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.1 -25.15 63.37 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.408 -0.808 . . . . 0.0 109.473 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.88 -42.08 93.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.855 . . . . 0.0 110.013 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 109.106 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.373 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 109.577 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -66.31 -37.96 86.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.739 . . . . 0.0 109.823 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.56 -39.99 77.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 0.0 109.798 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.44 47.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.217 -0.927 . . . . 0.0 109.363 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 51.09 47.72 24.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 179.374 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.39 131.16 22.73 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.407 -0.808 . . . . 0.0 109.783 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 31' ' ' VAL . 94.2 Cg_exo -43.88 141.27 4.36 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.791 1.661 . . . . 0.0 111.989 178.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.75 -21.62 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.409 2.073 . . . . 0.0 113.31 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.0 -50.11 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.955 -1.091 . . . . 0.0 110.562 -178.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.02 -41.49 59.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.002 -1.061 . . . . 0.0 110.487 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.02 71.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -39.98 87.44 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.17 -0.956 . . . . 0.0 109.757 178.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.42 -40.58 94.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 110.31 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.1 -40.46 83.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.14 -39.92 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 177.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.24 51.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.688 -0.632 . . . . 0.0 109.709 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -89.68 -45.91 9.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.047 -1.033 . . . . 0.0 108.647 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.82 126.94 29.53 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.87 -28.2 44.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 110.778 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.55 -42.86 58.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 110.833 -178.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -80.75 -24.28 38.8 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.973 -1.08 . . . . 0.0 111.032 -178.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.5 -48.57 66.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.896 -1.128 . . . . 0.0 110.231 -178.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 86.9 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 108.964 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.14 140.5 33.21 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.919 0.866 . . . . 0.0 111.256 -178.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' A' ' 5' ' ' ILE . 57.8 t0 -59.89 -38.39 82.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 -12.39 0.39 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -60.36 -34.0 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.278 -1.131 . . . . 0.0 108.2 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.05 -38.16 81.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 109.025 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.63 -39.65 94.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.389 -0.82 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.93 82.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.248 -0.908 . . . . 0.0 109.386 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.99 -41.51 92.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.163 -0.96 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.72 -40.0 95.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.83 7.85 45.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.902 . . . . 0.0 110.357 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -48.87 -41.63 33.92 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.906 -1.122 . . . . 0.0 108.964 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -34.74 74.41 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.609 -0.682 . . . . 0.0 109.358 179.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.073 -1.017 . . . . 0.0 110.289 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.43 -17.31 29.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.027 -1.046 . . . . 0.0 109.76 -179.511 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.57 -126.74 1.71 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.597 -0.689 . . . . 0.0 110.384 179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 m -88.43 -0.32 57.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.78 72.42 7.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.922 -1.111 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -69.92 -27.38 64.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.231 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.92 -44.49 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.0 109.792 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.03 84.31 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.996 -1.065 . . . . 0.0 108.467 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -61.44 -47.84 83.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.065 178.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.71 -40.12 86.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.246 -0.909 . . . . 0.0 109.057 179.692 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -68.29 -32.09 72.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.499 -0.751 . . . . 0.0 109.303 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.89 -41.81 74.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 108.716 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -95.06 -2.03 50.97 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.7 m120 52.82 42.2 31.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.301 179.334 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.26 126.63 28.84 Favored Pre-proline 0 N--CA 1.504 2.272 0 O-C-N 121.217 -0.927 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.49 153.63 1.14 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.715 1.61 . . . . 0.0 112.252 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.38 -21.9 0.5 Allowed 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.505 2.137 . . . . 0.0 113.606 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.0 -59.52 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.832 -1.167 . . . . 0.0 109.933 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.5 t -69.96 -41.47 79.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.307 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.045 -1.034 . . . . 0.0 109.509 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.17 -39.97 88.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 108.785 179.239 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.64 -41.28 97.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.476 -0.765 . . . . 0.0 110.437 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.12 -41.56 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.948 -1.095 . . . . 0.0 108.111 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.36 -40.09 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.86 -17.75 57.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.66 -0.65 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -93.73 -39.56 10.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.884 -1.135 . . . . 0.0 109.832 -179.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.1 132.75 54.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.026 -1.046 . . . . 0.0 108.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -75.87 -35.56 59.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.334 -0.854 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.81 -40.07 76.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.917 -1.114 . . . . 0.0 109.911 -178.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.2 m -85.41 -2.78 58.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.045 . . . . 0.0 110.059 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -65.7 -50.2 65.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.986 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.122 -0.987 . . . . 0.0 109.0 179.683 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.41 140.27 33.85 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.916 0.865 . . . . 0.0 111.175 -178.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.489 ' C ' ' N ' ' B' ' 5' ' ' ILE . 57.8 t0 -59.97 -38.29 82.07 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.074 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.44 -12.42 0.34 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.489 ' N ' ' C ' ' B' ' 3' ' ' ASP . 50.1 mt -60.32 -34.25 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -1.171 . . . . 0.0 108.179 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.84 -38.31 81.7 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.405 -0.809 . . . . 0.0 108.984 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -62.41 -39.92 94.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.412 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.06 82.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.225 -0.922 . . . . 0.0 109.47 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.13 -41.2 92.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.069 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.82 -40.02 96.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.414 -0.804 . . . . 0.0 110.217 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.93 7.89 45.55 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.23 -0.919 . . . . 0.0 110.329 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.0 -41.43 34.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.846 -1.159 . . . . 0.0 108.929 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.76 -34.47 74.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.56 -0.712 . . . . 0.0 109.376 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.45 -39.93 95.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.28 -16.98 29.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.009 -1.057 . . . . 0.0 109.696 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.3 -127.01 1.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.6 -0.687 . . . . 0.0 110.388 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -88.05 -0.42 57.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -80.69 72.53 7.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.902 -1.124 . . . . 0.0 109.357 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -70.0 -27.26 64.55 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -44.52 94.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.741 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.85 85.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.036 -1.04 . . . . 0.0 108.527 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.78 -47.83 83.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.799 . . . . 0.0 109.016 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -40.28 86.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.885 . . . . 0.0 109.079 179.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -68.26 -32.02 71.9 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.381 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.88 -41.91 74.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.147 -0.971 . . . . 0.0 108.683 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -94.94 -2.18 51.03 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.5 m120 53.01 42.23 32.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.25 126.45 29.22 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.232 -0.918 . . . . 0.0 109.948 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.37 153.5 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.799 1.666 . . . . 0.0 112.228 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.32 -22.0 0.5 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.487 2.125 . . . . 0.0 113.496 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.75 -59.47 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.95 -1.093 . . . . 0.0 109.966 -178.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.04 -41.45 79.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.453 -0.779 . . . . 0.0 110.274 -179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.43 73.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.22 -39.93 88.36 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.324 -0.86 . . . . 0.0 108.822 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.9 -41.3 97.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.369 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.23 -41.47 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.948 -1.095 . . . . 0.0 108.119 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.35 -40.01 85.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.73 57.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.648 -0.658 . . . . 0.0 110.325 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -93.86 -39.82 10.5 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.056 -1.028 . . . . 0.0 109.791 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -59.95 132.73 54.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 108.986 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.76 -35.48 60.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.258 -0.901 . . . . 0.0 111.258 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -40.07 76.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.922 -1.111 . . . . 0.0 109.902 -178.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 34.5 m -85.53 -2.94 58.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.979 -1.076 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -65.49 -50.4 65.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.002 -1.061 . . . . 0.0 109.979 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.054 -1.029 . . . . 0.0 109.013 179.697 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.487 0.661 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.85 142.74 33.86 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.41 0.624 . . . . 0.0 110.257 -179.495 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.07 -38.33 82.52 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.161 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.02 -13.42 0.32 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' ASP . 50.1 mt -60.83 -40.21 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -1.133 . . . . 0.0 108.552 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.1 -39.92 87.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.74 -39.11 93.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.19 76.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.773 . . . . 0.0 109.628 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.98 -40.55 89.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.018 -1.051 . . . . 0.0 108.896 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.03 -40.03 94.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 110.071 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.81 5.96 49.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -178.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.04 -44.21 41.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.856 -1.153 . . . . 0.0 109.313 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.78 -36.22 82.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.0 109.995 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.01 -14.78 46.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 58.73 -132.04 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 109.741 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -86.86 -0.56 56.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.285 -0.884 . . . . 0.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.95 78.32 6.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.95 -1.094 . . . . 0.0 109.443 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CZ2' ' NE ' ' A' ' 20' ' ' ARG . 64.3 p-90 -71.28 -20.96 62.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.171 -0.956 . . . . 0.0 109.34 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' NE ' ' CZ2' ' A' ' 19' ' ' TRP . 28.5 mmt180 -61.37 -40.1 93.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.188 -0.945 . . . . 0.0 109.618 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.95 93.98 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.321 -0.862 . . . . 0.0 108.988 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -59.92 -50.0 75.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.366 -0.834 . . . . 0.0 109.252 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.056 -1.028 . . . . 0.0 108.875 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.505 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 30.7 t -67.03 -37.23 83.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.716 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -69.99 -46.4 65.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.877 . . . . 0.0 109.928 -179.302 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.9 -0.82 50.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.366 -0.834 . . . . 0.0 109.882 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.5 m120 52.17 49.17 21.17 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.226 -0.921 . . . . 0.0 110.612 179.2 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.93 151.77 49.29 Favored Pre-proline 0 N--CA 1.507 2.416 0 O-C-N 121.25 -0.907 . . . . 0.0 110.163 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.43 159.55 10.48 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.704 1.603 . . . . 0.0 110.606 177.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.83 -19.8 40.8 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.392 2.061 . . . . 0.0 112.134 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.03 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.189 -0.944 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.44 -44.71 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.826 -1.171 . . . . 0.0 110.581 -178.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.73 -50.46 72.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.795 -1.19 . . . . 0.0 109.704 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.49 -39.97 89.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 110.267 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -42.38 94.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.234 -0.916 . . . . 0.0 110.2 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.88 -47.5 92.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 108.938 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.83 -45.52 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.076 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 110.299 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 m -96.06 -20.98 18.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.919 -1.113 . . . . 0.0 110.246 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.37 139.92 56.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.932 -1.105 . . . . 0.0 108.739 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.77 -39.92 66.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.245 -0.909 . . . . 0.0 111.053 -178.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -70.06 -40.02 75.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.919 -1.113 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.4 7.29 17.19 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.758 -1.214 . . . . 0.0 109.378 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -75.17 -67.64 0.63 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.342 -0.849 . . . . 0.0 109.898 -179.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.758 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.548 0.689 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.82 142.81 33.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.628 -0.67 . . . . 0.0 110.243 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.4 m-20 -59.97 -38.44 82.54 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.114 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -13.24 0.33 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.9 mt -60.79 -40.27 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -1.141 . . . . 0.0 108.54 178.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -40.06 88.22 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.62 -39.1 92.73 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.1 76.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.408 -0.807 . . . . 0.0 109.573 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -40.5 89.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.046 -1.034 . . . . 0.0 108.926 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.0 -40.11 94.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.375 -0.828 . . . . 0.0 110.013 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.69 5.93 50.02 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.253 -0.904 . . . . 0.0 110.609 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.13 -44.23 42.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -36.19 82.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -178.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.97 -14.87 46.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.972 -1.08 . . . . 0.0 109.531 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 58.73 -131.98 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.845 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -86.85 -0.63 56.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 110.058 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.0 78.53 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 109.421 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.515 ' CZ2' ' NE ' ' B' ' 20' ' ' ARG . 64.4 p-90 -71.42 -20.79 62.07 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.323 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NE ' ' CZ2' ' B' ' 19' ' ' TRP . 28.5 mmt180 -61.44 -40.17 93.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.925 . . . . 0.0 109.561 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.01 94.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -60.06 -49.93 75.71 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.401 -0.812 . . . . 0.0 109.24 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.55 -39.97 85.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.112 -0.992 . . . . 0.0 108.697 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 30.9 t -66.86 -37.36 84.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.726 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -70.0 -46.56 64.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 110.018 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.65 -0.9 51.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.372 -0.83 . . . . 0.0 109.887 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.5 m120 52.11 49.44 20.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.168 -0.958 . . . . 0.0 110.486 179.167 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -118.07 151.73 49.44 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.32 -0.862 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.43 159.54 10.49 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.631 1.554 . . . . 0.0 110.63 177.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.66 -19.96 40.12 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.331 2.021 . . . . 0.0 112.137 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -50.1 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.97 -179.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.41 -44.53 71.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.739 -1.226 . . . . 0.0 110.567 -178.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.65 71.6 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.797 -1.189 . . . . 0.0 109.681 -179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.34 -39.95 88.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 0.0 110.271 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.01 -42.45 94.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.231 -0.918 . . . . 0.0 110.053 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -61.8 -47.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.179 -0.951 . . . . 0.0 108.985 -179.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.95 -45.4 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.181 -0.949 . . . . 0.0 109.009 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -63.25 -26.4 68.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.624 -0.673 . . . . 0.0 110.249 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -96.12 -20.96 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.988 -1.07 . . . . 0.0 110.28 -179.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.31 139.89 56.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.889 -1.132 . . . . 0.0 108.763 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.66 -40.04 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.189 -0.944 . . . . 0.0 111.071 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.959 -1.088 . . . . 0.0 110.908 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -83.43 6.96 18.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 109.293 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -74.98 -67.17 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.164 -0.96 . . . . 0.0 109.938 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 109.363 -179.845 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.35 143.12 30.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.415 -0.803 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.12 -39.96 88.1 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.007 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.59 -10.88 0.42 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.4 mt -60.16 -38.61 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -1.153 . . . . 0.0 108.805 178.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.5 -38.91 85.85 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.45 76.81 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.472 -0.768 . . . . 0.0 110.233 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.93 -42.99 95.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.942 -1.099 . . . . 0.0 109.13 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.89 -38.73 89.43 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.502 -0.749 . . . . 0.0 109.914 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.55 5.74 50.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 110.726 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.31 -42.4 41.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 109.079 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.85 -36.93 80.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.395 -0.816 . . . . 0.0 110.024 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.882 . . . . 0.0 110.1 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -87.96 -12.35 44.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.912 -1.117 . . . . 0.0 108.656 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.49 -137.33 0.86 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.407 0.622 . . . . 0.0 110.442 179.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.3 p -81.3 -8.61 59.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.398 -0.814 . . . . 0.0 110.123 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.67 76.3 6.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 109.527 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -70.25 -23.31 62.88 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.243 -0.911 . . . . 0.0 109.334 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.38 -41.29 93.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.049 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.34 89.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.024 -1.047 . . . . 0.0 108.481 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.5 ttp -62.94 -45.32 93.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.418 -0.801 . . . . 0.0 109.303 179.258 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.44 -39.97 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.997 -1.064 . . . . 0.0 109.124 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 t -68.34 -35.73 78.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -0.763 . . . . 0.0 109.692 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -69.4 -42.95 74.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.325 -0.86 . . . . 0.0 109.706 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.61 -0.4 54.5 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.513 -0.742 . . . . 0.0 109.461 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.0 m120 52.39 49.94 19.4 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.247 -0.908 . . . . 0.0 110.495 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 mt -120.93 151.47 54.95 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.45 161.26 46.65 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.338 2.025 . . . . 0.0 111.89 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.0 -24.52 25.06 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.857 2.371 . . . . 0.0 112.45 -179.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.99 -50.03 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.969 -1.082 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.0 -43.6 51.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.054 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.51 69.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.895 . . . . 0.0 109.716 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.01 -40.08 88.02 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.695 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.94 -40.09 91.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.66 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.21 -42.82 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 108.175 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.21 -39.69 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.345 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.7 -21.62 60.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.793 -0.567 . . . . 0.0 110.609 -179.666 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -95.13 -27.44 15.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.978 -1.076 . . . . 0.0 110.15 -178.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -60.1 139.9 57.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.97 -1.081 . . . . 0.0 108.586 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.49 -33.78 54.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.009 -1.057 . . . . 0.0 110.105 -179.304 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.52 -40.0 70.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 0.0 110.929 -178.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.4 m -81.26 -9.68 59.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.907 -1.121 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.7 tp-100 -68.96 -59.99 2.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.958 -1.089 . . . . 0.0 109.31 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.129 -0.982 . . . . 0.0 108.868 179.083 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -100.74 142.79 31.73 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.12 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.8 m-20 -60.02 -39.86 87.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.151 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 -11.29 0.41 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.3 mt -59.99 -38.63 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -1.133 . . . . 0.0 108.736 179.106 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.013 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -60.66 -38.67 85.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.55 77.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.504 -0.748 . . . . 0.0 110.25 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.98 -43.11 95.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.915 -1.116 . . . . 0.0 109.026 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.78 -38.36 87.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.99 6.36 48.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.281 -0.887 . . . . 0.0 110.765 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -49.69 -42.35 45.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.819 -1.176 . . . . 0.0 109.132 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.0 -36.81 80.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.922 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 0.0 110.158 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.88 -12.48 44.68 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 108.715 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.66 -137.31 0.85 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.684 -0.635 . . . . 0.0 110.377 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.4 p -81.48 -8.47 59.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.75 76.14 6.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.607 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -70.24 -22.96 62.84 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.61 -41.05 93.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.881 . . . . 0.0 109.957 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.19 88.41 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.431 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.15 -45.27 92.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.387 -0.821 . . . . 0.0 109.194 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.28 -40.17 77.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.04 -1.038 . . . . 0.0 109.196 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.32 -35.54 77.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.798 . . . . 0.0 109.645 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -69.39 -43.05 74.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.74 -0.15 54.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.566 -0.709 . . . . 0.0 109.532 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.9 m120 52.14 50.01 19.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.924 . . . . 0.0 110.401 179.212 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -120.97 151.28 54.79 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.22 160.97 47.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.397 2.064 . . . . 0.0 111.91 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.88 -24.47 24.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.802 2.335 . . . . 0.0 112.499 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.93 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.921 -1.112 . . . . 0.0 109.428 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.1 -43.79 50.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.49 69.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.237 -0.914 . . . . 0.0 109.694 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.93 -40.02 87.47 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.793 179.108 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.13 -40.03 92.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 109.661 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.87 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.127 . . . . 0.0 108.129 179.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.49 -39.45 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -21.44 61.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.796 -0.565 . . . . 0.0 110.574 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -95.35 -27.46 15.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.865 -1.147 . . . . 0.0 110.165 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -60.03 139.79 57.23 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.991 -1.068 . . . . 0.0 108.54 179.387 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -77.44 -33.76 54.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 0.0 110.178 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.48 -40.1 70.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.0 m -81.1 -9.46 59.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.932 -1.105 . . . . 0.0 110.555 -179.33 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.14 -60.16 2.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.831 -1.168 . . . . 0.0 109.397 -179.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 108.862 178.978 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.18 138.25 36.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.772 . . . . 0.0 111.054 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 85.1 m-20 -59.92 -39.05 84.13 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.64 -11.73 0.17 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.4 mt -60.0 -32.28 49.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.426 -1.043 . . . . 0.0 108.343 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.84 -39.36 84.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.87 -39.7 95.24 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -38.71 82.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -42.14 93.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.916 -1.115 . . . . 0.0 109.208 -179.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.39 -40.03 89.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.407 -0.808 . . . . 0.0 110.13 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.24 0.86 57.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.885 . . . . 0.0 110.106 -178.62 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -49.67 -43.32 47.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 109.144 179.564 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.49 -40.06 89.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.427 -0.796 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 53.8 tptt -61.11 -39.91 91.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.888 . . . . 0.0 109.842 -179.103 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -87.31 -13.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.867 -1.146 . . . . 0.0 109.029 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 26.8 m80 58.99 -138.5 0.77 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.503 -0.748 . . . . 0.0 110.298 179.197 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -82.12 -3.79 55.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 110.395 -179.171 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.09 76.97 5.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.799 -1.188 . . . . 0.0 109.217 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.69 -26.08 63.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.382 -0.824 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.12 -41.23 92.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -0.854 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.65 80.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.311 -0.868 . . . . 0.0 109.262 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.9 ttp -61.68 -41.51 97.65 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 0.0 109.601 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.07 82.58 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.076 . . . . 0.0 109.424 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.0 m -65.17 -40.1 93.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.404 -0.81 . . . . 0.0 110.282 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.09 -39.91 75.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.068 -1.02 . . . . 0.0 110.918 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -94.46 -0.55 54.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 m120 51.6 50.04 19.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.444 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.13 151.71 45.96 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.496 -0.752 . . . . 0.0 109.342 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.3 Cg_endo -73.34 149.04 44.46 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.82 1.68 . . . . 0.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.96 -22.91 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.114 1.876 . . . . 0.0 112.61 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.26 -54.87 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.077 -1.015 . . . . 0.0 110.188 -179.322 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.86 -41.16 61.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.025 -1.047 . . . . 0.0 110.058 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.69 68.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.095 -1.003 . . . . 0.0 109.467 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -60.26 -39.85 88.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.147 -0.97 . . . . 0.0 109.261 178.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.13 -39.99 94.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 0.0 110.346 -179.282 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.43 -40.02 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 179.68 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.62 -40.12 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' C ' HE22 ' A' ' 44' ' ' GLN . . . -60.51 -16.69 39.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.839 -0.538 . . . . 0.0 110.27 -179.826 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -95.7 -38.26 10.43 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.012 -1.055 . . . . 0.0 109.974 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.55 135.37 57.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.083 -1.011 . . . . 0.0 109.02 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -78.17 -36.02 48.07 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.15 -0.969 . . . . 0.0 110.886 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -70.11 -40.13 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.151 -0.968 . . . . 0.0 110.891 -178.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.99 -8.44 59.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.905 -1.122 . . . . 0.0 109.924 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.8 tp-100 -69.16 -59.86 2.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.643 -179.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.474 -0.766 . . . . 0.0 109.572 -179.807 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.5 mt -99.16 138.16 36.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.53 -0.731 . . . . 0.0 110.976 -178.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 85.1 m-20 -60.11 -38.78 84.0 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.533 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.88 -11.63 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.191 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.9 mt -60.02 -32.08 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.34 -1.094 . . . . 0.0 108.361 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.95 -39.2 84.75 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.661 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.91 -39.89 95.92 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.81 81.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.407 -0.808 . . . . 0.0 110.265 -179.414 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.04 -42.2 93.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.034 -1.041 . . . . 0.0 109.192 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.47 -40.01 89.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -0.765 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.14 0.81 56.98 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.21 -0.931 . . . . 0.0 110.185 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -49.62 -43.32 46.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 109.168 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -60.53 -40.07 90.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.556 -0.715 . . . . 0.0 109.554 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 53.8 tptt -60.75 -40.18 91.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.377 -0.827 . . . . 0.0 109.771 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -87.21 -13.57 43.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.897 -1.127 . . . . 0.0 109.005 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 27.0 m80 59.24 -138.2 0.76 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.561 -0.712 . . . . 0.0 110.437 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 t -82.43 -3.81 56.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.281 -179.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.0 77.05 5.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.915 -1.116 . . . . 0.0 109.203 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.75 -26.44 63.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.417 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -41.08 91.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -45.89 79.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.211 -0.93 . . . . 0.0 109.121 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -61.57 -41.59 97.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.372 -0.83 . . . . 0.0 109.606 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.032 -1.043 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -65.2 -40.01 93.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.343 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.0 -40.25 75.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.736 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.37 -0.23 55.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.003 -1.061 . . . . 0.0 109.443 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m120 51.33 50.2 19.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 0.0 110.385 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -115.09 151.67 45.88 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.485 -0.759 . . . . 0.0 109.312 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 60.1 Cg_endo -73.33 149.03 44.48 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.88 1.72 . . . . 0.0 110.966 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.98 -22.64 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.96 1.773 . . . . 0.0 112.612 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -59.7 -54.89 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.943 -1.098 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.72 -40.84 61.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.84 -1.163 . . . . 0.0 110.002 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.78 68.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.086 -1.009 . . . . 0.0 109.433 -179.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 109.408 178.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -61.96 -39.96 93.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.92 . . . . 0.0 110.341 -179.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.36 -40.16 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.64 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -16.6 38.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.78 -0.575 . . . . 0.0 110.323 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -95.75 -38.36 10.37 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.013 -1.055 . . . . 0.0 109.885 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -60.47 135.31 57.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.102 -0.999 . . . . 0.0 109.21 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.23 -35.85 47.84 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.18 -0.95 . . . . 0.0 110.837 -179.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.26 -40.1 74.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.16 -0.963 . . . . 0.0 110.891 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -81.91 -8.46 59.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.865 -1.147 . . . . 0.0 109.927 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.528 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 63.4 tp60 -69.14 -59.45 3.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -1.0 . . . . 0.0 109.699 -179.355 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.37 -0.831 . . . . 0.0 109.46 -179.731 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.6 141.58 35.18 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.688 0.756 . . . . 0.0 111.297 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.5 m-20 -60.09 -39.98 88.02 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.703 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.28 -13.17 0.22 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.1 mt -60.01 -35.54 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.36 -1.082 . . . . 0.0 108.403 178.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.93 -38.06 81.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.86 -40.11 94.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.289 -0.882 . . . . 0.0 108.985 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.47 78.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.427 -0.796 . . . . 0.0 109.757 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.03 -40.83 90.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.965 . . . . 0.0 109.575 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.96 89.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.987 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -98.22 9.81 42.08 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.21 -0.931 . . . . 0.0 110.439 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.56 -42.29 33.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.795 -1.191 . . . . 0.0 109.695 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 77.9 mm-40 -60.92 -35.49 76.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 0.0 109.731 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -60.09 -37.52 80.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.165 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.55 31.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.86 -1.15 . . . . 0.0 109.687 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 75.8 m-70 58.06 -134.07 1.1 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.345 -0.847 . . . . 0.0 110.012 179.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -82.4 -7.1 59.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.334 -0.854 . . . . 0.0 110.053 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 109.323 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -69.95 -25.1 63.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 0.0 109.473 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.19 89.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.268 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.87 89.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 109.017 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.9 ttp -60.61 -44.01 96.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.658 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.97 -40.58 89.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 109.448 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -66.65 -37.82 85.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.82 -42.84 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.52 -179.021 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -94.77 -2.49 50.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.49 -0.757 . . . . 0.0 109.307 179.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.6 m120 52.55 49.98 19.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.843 . . . . 0.0 110.636 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.06 152.49 50.44 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.501 -0.75 . . . . 0.0 109.196 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.85 160.98 47.68 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.316 2.01 . . . . 0.0 111.5 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.29 -21.5 29.26 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.476 2.117 . . . . 0.0 111.768 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 109.63 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.8 t -75.15 -44.27 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 110.271 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.98 83.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.46 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.98 -39.89 87.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.021 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.04 -40.02 96.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.45 -0.781 . . . . 0.0 110.199 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.12 -41.53 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.945 -1.097 . . . . 0.0 108.061 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.37 -40.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 177.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.61 51.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.615 -0.678 . . . . 0.0 109.511 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -87.02 -48.14 8.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.18 -0.95 . . . . 0.0 108.943 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.1 129.17 40.84 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.3 -30.5 48.4 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.13 -43.26 64.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.127 -0.983 . . . . 0.0 110.999 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.46 -22.62 43.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.731 -1.231 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.95 -49.48 61.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.847 -1.158 . . . . 0.0 110.041 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.159 -0.963 . . . . 0.0 109.043 -179.976 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.66 141.57 35.26 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.79 0.805 . . . . 0.0 111.247 -178.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.5 m-20 -60.07 -40.01 87.99 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.694 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.37 -13.2 0.23 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.0 mt -59.92 -35.6 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.363 -1.08 . . . . 0.0 108.307 178.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.84 -38.11 81.13 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.81 -40.14 94.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 0.0 109.013 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.36 78.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.01 -41.12 91.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.24 -39.93 88.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -98.33 9.83 42.13 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.295 -0.878 . . . . 0.0 110.433 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.52 -42.16 32.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.779 -1.2 . . . . 0.0 109.728 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 77.8 mm-40 -61.12 -35.29 76.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.22 -37.52 80.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 0.0 110.219 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.5 31.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.896 -1.127 . . . . 0.0 109.62 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 75.7 m-70 58.11 -134.05 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.235 -0.915 . . . . 0.0 109.97 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 t -82.37 -7.12 59.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.019 -1.051 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.02 -25.04 63.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -40.05 89.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 110.271 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.79 89.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 109.058 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.1 ttp -60.65 -44.02 96.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.429 -0.794 . . . . 0.0 109.674 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -40.54 89.54 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.097 -1.002 . . . . 0.0 109.358 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -66.72 -37.79 85.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.865 . . . . 0.0 110.185 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.84 -42.81 76.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 109.508 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -94.81 -2.6 50.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.309 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.5 m120 52.62 50.03 19.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.55 179.214 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.96 152.53 50.34 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.451 -0.781 . . . . 0.0 109.205 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.94 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 122.377 2.051 . . . . 0.0 111.439 179.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.13 -21.67 28.71 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.464 2.11 . . . . 0.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.76 -50.02 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 109.541 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.23 -44.42 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 0.0 110.287 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.75 84.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.019 . . . . 0.0 109.561 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.11 -39.95 87.97 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.154 -0.966 . . . . 0.0 108.957 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.05 -39.98 96.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.1 -41.64 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 108.017 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.36 -40.04 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.46 -19.76 50.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 0.0 109.592 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -87.08 -48.19 8.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -0.926 . . . . 0.0 108.993 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.06 129.0 40.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.2 -30.44 48.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.048 -1.032 . . . . 0.0 110.064 -179.157 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -72.28 -43.19 64.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 111.053 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -79.4 -22.62 44.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.832 -1.168 . . . . 0.0 110.645 -179.261 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -68.15 -49.26 62.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.863 -1.148 . . . . 0.0 110.089 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 179.797 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -101.8 144.94 29.84 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.422 0.629 . . . . 0.0 110.479 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.7 m-20 -60.1 -39.42 86.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.62 -15.0 0.13 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 60.4 mt -60.81 -41.71 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.273 -1.133 . . . . 0.0 109.107 179.259 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -62.4 -39.99 95.05 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 60.9 tttp -63.96 -38.03 89.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.94 73.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 110.299 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.002 -1.061 . . . . 0.0 110.455 -178.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 52.9 mp0 -99.8 11.73 38.5 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.006 -1.059 . . . . 0.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.7 -40.33 27.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.885 -1.134 . . . . 0.0 109.7 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.13 -39.85 87.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 109.908 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.5 -35.27 77.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.896 . . . . 0.0 110.119 -178.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.75 -16.07 37.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.185 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 58.38 -138.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.292 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -82.47 -6.61 59.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 80.48 4.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.039 -1.038 . . . . 0.0 109.743 -179.467 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.79 63.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.395 -0.816 . . . . 0.0 109.004 179.31 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.17 -39.93 88.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.395 -0.815 . . . . 0.0 109.354 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.503 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.7 ttm -60.12 -46.62 89.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.356 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.89 . . . . 0.0 109.746 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 40.5 t -67.06 -35.06 79.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.309 -0.869 . . . . 0.0 109.81 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -69.97 -44.77 68.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.925 . . . . 0.0 109.741 -179.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.28 -0.08 50.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.74 . . . . 0.0 109.82 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.0 m120 53.06 45.28 29.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 110.532 179.154 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 31.4 mt -114.23 150.92 44.48 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.176 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.6 Cg_endo -70.79 152.72 64.22 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.923 1.749 . . . . 0.0 111.594 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -40.64 -19.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.354 2.036 . . . . 0.0 112.75 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.1 t -59.93 -50.11 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.091 -1.005 . . . . 0.0 110.623 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.01 -43.46 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 110.94 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.2 82.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.866 -1.146 . . . . 0.0 109.217 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -59.95 -40.1 87.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.172 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.42 -40.43 94.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.386 -0.821 . . . . 0.0 110.18 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -62.87 -40.49 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.971 -1.081 . . . . 0.0 108.734 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.52 -40.04 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.168 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.12 -16.4 7.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.694 -0.629 . . . . 0.0 109.568 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -93.88 -46.82 7.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.082 -1.011 . . . . 0.0 108.901 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.87 126.18 26.61 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.695 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.99 -22.01 46.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 0.0 109.743 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -76.91 -47.04 22.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 0.0 110.329 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.2 m -79.04 -29.98 43.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.247 -179.451 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -70.57 -59.85 2.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.014 -1.054 . . . . 0.0 110.461 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.238 -0.913 . . . . 0.0 109.657 -179.112 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.89 144.98 29.86 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.482 0.658 . . . . 0.0 110.524 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.9 m-20 -59.86 -39.94 86.93 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.22 -15.03 0.11 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' ASP . 59.6 mt -60.93 -41.71 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.315 -1.109 . . . . 0.0 109.021 179.241 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.31 -40.06 95.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 108.534 178.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 60.9 tttp -63.8 -38.1 89.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.643 -0.66 . . . . 0.0 109.505 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.91 73.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.06 -39.98 87.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.0 110.189 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.977 -1.077 . . . . 0.0 110.52 -178.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 53.0 mp0 -99.83 11.88 38.14 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.041 -1.037 . . . . 0.0 111.042 -179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -48.9 -40.35 29.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.859 -1.151 . . . . 0.0 109.765 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -39.79 87.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.998 -179.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -35.22 77.39 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.176 -0.953 . . . . 0.0 109.997 -178.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.62 -15.98 38.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.794 -1.191 . . . . 0.0 109.236 179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 58.29 -138.22 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.47 -0.769 . . . . 0.0 110.349 179.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.0 p -82.65 -6.68 59.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.686 . . . . 0.0 110.302 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 80.41 4.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.0 109.765 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.71 63.19 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.352 -0.842 . . . . 0.0 109.007 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.26 -40.15 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.256 -0.902 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.62 91.5 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.499 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.7 ttm -60.01 -46.69 88.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.866 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.92 -39.99 87.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 0.0 109.743 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 40.5 t -67.37 -34.97 78.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -70.0 -44.87 68.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.216 -0.928 . . . . 0.0 109.698 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -96.29 0.08 50.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.482 -0.761 . . . . 0.0 109.904 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.1 m120 53.12 45.18 29.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -0.852 . . . . 0.0 110.528 179.032 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 31.0 mt -114.03 150.91 44.32 Favored Pre-proline 0 N--CA 1.503 2.176 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.6 Cg_endo -70.82 152.88 64.19 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.859 1.706 . . . . 0.0 111.547 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.68 -20.18 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.336 2.024 . . . . 0.0 112.922 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.93 -49.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.048 -1.033 . . . . 0.0 110.414 -178.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.21 -43.46 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -178.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.04 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.892 -1.13 . . . . 0.0 109.252 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 109.163 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.56 -40.23 93.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.5 -0.75 . . . . 0.0 110.376 -179.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.499 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -62.93 -40.22 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.066 -1.021 . . . . 0.0 108.635 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.7 -39.99 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.01 7.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.667 -0.646 . . . . 0.0 109.612 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -94.03 -46.93 6.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.022 -1.049 . . . . 0.0 108.895 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.71 126.15 26.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 108.811 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -78.97 -21.98 46.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.001 . . . . 0.0 109.678 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.89 -46.84 23.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 110.423 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -79.15 -30.06 43.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -0.95 . . . . 0.0 110.25 -179.544 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -70.41 -59.85 2.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.983 -1.073 . . . . 0.0 110.422 -179.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.096 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -100.04 140.63 33.99 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.767 0.794 . . . . 0.0 111.028 -178.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -60.05 -38.01 81.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.35 -13.01 0.21 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.027 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.4 mt -60.61 -39.72 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.372 -1.075 . . . . 0.0 108.999 178.885 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.096 -1.002 . . . . 0.0 108.501 179.36 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -61.56 -39.25 90.42 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.526 -0.734 . . . . 0.0 109.337 179.574 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 -38.38 74.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.153 -0.967 . . . . 0.0 109.586 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.0 -42.53 94.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.126 -0.983 . . . . 0.0 109.103 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.44 -39.95 95.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.528 -0.732 . . . . 0.0 110.073 -179.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -94.56 6.8 47.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.871 . . . . 0.0 110.237 -178.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -51.07 -34.3 29.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.092 -1.005 . . . . 0.0 109.396 179.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 81.2 mm-40 -60.07 -37.82 81.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 0.0 109.827 -179.193 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.07 -35.72 81.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.096 -1.002 . . . . 0.0 109.947 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.82 -20.02 28.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.925 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 30.1 m-70 59.37 -136.73 0.79 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 0.0 110.011 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -86.07 -2.9 58.75 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.272 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.48 82.31 6.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.802 -1.186 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -70.7 -19.16 62.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.053 -1.029 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.45 HH11 ' HG3' ' A' ' 20' ' ' ARG . 19.0 mmm-85 -60.74 -48.01 83.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.945 . . . . 0.0 109.523 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.65 99.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.182 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.33 89.92 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.93 -42.33 93.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.85 -1.157 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 m -64.85 -40.03 94.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 110.435 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -69.96 -40.18 75.58 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 110.513 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -92.62 -1.33 56.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.108 -0.995 . . . . 0.0 108.891 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.6 m120 50.97 49.47 21.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.417 -0.802 . . . . 0.0 110.234 179.418 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 mt -116.89 151.74 47.76 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.548 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.46 152.37 43.56 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.133 1.889 . . . . 0.0 111.748 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -41.0 -26.24 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.495 2.13 . . . . 0.0 113.297 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.89 -50.43 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.886 -1.134 . . . . 0.0 110.347 -178.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -74.3 -41.84 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.105 -0.997 . . . . 0.0 109.702 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.23 86.74 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.309 -0.869 . . . . 0.0 108.818 -179.737 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.369 -0.832 . . . . 0.0 108.975 178.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -64.22 -40.56 96.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.04 -42.77 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.885 -1.134 . . . . 0.0 108.215 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.7 t -65.16 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HA ' HE22 ' A' ' 44' ' ' GLN . . . -61.41 -27.37 68.49 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.643 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -88.08 -36.62 16.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 109.7 -178.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.17 129.65 42.95 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.98 -27.57 54.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.065 -1.022 . . . . 0.0 110.152 -179.136 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.01 -40.14 68.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.011 -1.056 . . . . 0.0 110.112 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -86.94 1.33 53.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 109.907 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.563 HE22 ' HA ' ' A' ' 38' ' ' ALA . 6.4 tp-100 -78.2 -70.04 0.51 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -0.999 . . . . 0.0 109.681 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.848 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.06 140.6 34.06 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.81 0.814 . . . . 0.0 110.986 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.7 m-20 -60.04 -37.98 81.39 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.33 -12.99 0.2 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.108 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.4 mt -60.68 -39.6 82.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -1.096 . . . . 0.0 108.96 178.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.07 -39.29 85.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.561 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -61.46 -39.08 89.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.396 179.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.23 74.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.592 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.05 -42.37 94.35 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.19 -0.944 . . . . 0.0 109.219 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.68 -39.94 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.009 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -94.65 6.89 47.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 -178.676 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -51.06 -34.46 30.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.339 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 81.2 mm-40 -59.98 -37.63 80.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.911 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.25 -35.51 80.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.887 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.96 -20.11 27.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.03 -1.043 . . . . 0.0 109.929 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 30.3 m-70 59.52 -136.68 0.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 110.065 179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -86.12 -2.85 58.72 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.0 110.505 -179.351 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.52 82.47 6.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.871 -1.143 . . . . 0.0 109.581 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.405 ' CZ2' ' HD2' ' B' ' 20' ' ' ARG . 67.3 p-90 -70.86 -19.15 62.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.079 -1.013 . . . . 0.0 109.118 179.694 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' B' ' 20' ' ' ARG . 19.0 mmm-85 -60.64 -48.09 83.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 109.502 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.64 99.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.32 -0.863 . . . . 0.0 109.236 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.59 88.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.182 -0.949 . . . . 0.0 109.751 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.65 -42.41 92.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.843 -1.161 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.3 m -64.79 -39.97 94.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.144 -0.973 . . . . 0.0 110.469 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -70.12 -39.96 75.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.995 -1.066 . . . . 0.0 110.535 -179.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -92.67 -1.31 56.96 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.028 -1.045 . . . . 0.0 108.908 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.7 m120 51.01 49.42 21.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.415 -0.803 . . . . 0.0 110.143 179.331 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.94 151.69 47.74 Favored Pre-proline 0 N--CA 1.502 2.144 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.38 152.51 44.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.028 1.819 . . . . 0.0 111.744 179.524 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -41.0 -26.34 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.524 2.149 . . . . 0.0 113.42 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -50.2 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.81 -1.181 . . . . 0.0 110.313 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.4 -41.88 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.09 -1.006 . . . . 0.0 109.759 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.39 86.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.268 -0.895 . . . . 0.0 108.824 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.894 . . . . 0.0 108.874 178.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.25 -40.53 96.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 110.474 -179.309 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.01 -42.66 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.995 -1.066 . . . . 0.0 108.29 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.22 -40.01 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.156 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.426 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -61.25 -27.21 68.29 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 -179.753 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -88.15 -36.86 16.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.977 -1.077 . . . . 0.0 109.45 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.11 129.84 43.82 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.158 -0.964 . . . . 0.0 108.475 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.16 -27.48 53.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 110.134 -179.094 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -72.08 -40.11 68.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.013 . . . . 0.0 110.107 -179.082 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -86.96 1.04 54.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 0.0 109.942 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -78.35 -69.97 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.713 -179.566 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.184 -0.947 . . . . 0.0 109.542 -179.882 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.94 140.3 33.31 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.456 0.646 . . . . 0.0 110.707 -178.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 5' ' ' ILE . 8.4 t70 -59.98 -36.63 77.56 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.785 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.58 -13.29 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.481 ' N ' ' C ' ' A' ' 3' ' ' ASP . 59.0 mt -61.98 -41.08 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.467 -1.02 . . . . 0.0 109.174 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.1 -39.0 93.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.07 72.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -0.86 . . . . 0.0 109.598 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.03 -41.31 91.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.032 . . . . 0.0 108.783 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.12 -35.68 81.1 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.498 -0.751 . . . . 0.0 109.379 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.96 2.82 56.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 110.523 -178.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.57 -41.37 30.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.983 -1.073 . . . . 0.0 109.629 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mt-10 -59.98 -39.05 84.34 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.349 -0.844 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -60.07 -39.23 85.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.505 -0.747 . . . . 0.0 109.964 -178.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.32 -16.73 36.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.868 -1.145 . . . . 0.0 109.577 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 42.7 m-70 58.82 -133.56 1.0 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 179.029 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -82.84 -9.24 59.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 -179.34 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.42 79.66 7.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.969 -1.082 . . . . 0.0 110.083 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.18 -23.32 62.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -40.37 92.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.326 -0.859 . . . . 0.0 110.295 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.21 88.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.77 -40.45 97.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.872 . . . . 0.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -39.97 84.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 0.0 109.708 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m -67.26 -36.24 81.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.883 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.84 -43.46 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 109.387 -179.608 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -93.05 -1.96 56.07 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 109.818 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.1 m120 52.32 50.06 19.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 179.237 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.05 153.72 49.67 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.482 -0.761 . . . . 0.0 109.062 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' VAL . 62.2 Cg_endo -74.21 149.96 41.54 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.842 1.694 . . . . 0.0 110.885 178.843 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -40.69 -21.09 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.082 1.855 . . . . 0.0 112.553 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.09 -49.85 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.026 -1.046 . . . . 0.0 110.468 -178.899 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.78 -40.03 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.044 -1.035 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.23 74.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.99 -1.069 . . . . 0.0 109.086 -179.2 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.48 -39.94 89.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.07 -40.06 94.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.386 -0.821 . . . . 0.0 110.285 -179.283 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.34 -41.27 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.033 -1.042 . . . . 0.0 108.442 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -39.94 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.136 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -26.83 65.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.733 -0.604 . . . . 0.0 110.378 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -94.87 -19.88 19.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.915 -1.115 . . . . 0.0 109.092 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 41' ' ' ASP . 14.6 t -60.58 155.02 19.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.306 -0.871 . . . . 0.0 108.909 179.002 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 90.8 m-20 -80.57 -69.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.188 -0.945 . . . . 0.0 111.506 -178.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -70.7 -37.18 73.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.63 -0.669 . . . . 0.0 112.14 -176.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.09 -24.82 61.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.518 -1.364 . . . . 0.0 111.623 -177.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -41.2 75.21 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.364 -1.46 . . . . 0.0 109.77 -179.194 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.049 -1.032 . . . . 0.0 109.394 178.944 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.4 mt -98.92 140.11 33.57 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.413 0.625 . . . . 0.0 110.71 -178.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' B' ' 5' ' ' ILE . 8.3 t70 -59.89 -36.69 77.49 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 -13.3 0.46 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 178.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.484 ' N ' ' C ' ' B' ' 3' ' ' ASP . 58.6 mt -62.13 -40.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.448 -1.03 . . . . 0.0 109.167 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.08 -39.92 87.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 108.594 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.28 -38.86 92.56 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.249 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.09 72.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.329 -0.857 . . . . 0.0 109.492 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.9 -41.51 91.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.008 -1.057 . . . . 0.0 108.695 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.93 -35.64 80.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.501 -0.749 . . . . 0.0 109.462 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.0 2.81 56.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.357 -0.84 . . . . 0.0 110.562 -178.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -48.58 -41.18 29.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.902 -1.123 . . . . 0.0 109.63 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 93.0 mt-10 -60.12 -39.11 85.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.337 -0.852 . . . . 0.0 109.893 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -60.0 -39.49 85.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.806 . . . . 0.0 109.809 -178.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.06 -16.69 37.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.869 -1.145 . . . . 0.0 109.566 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 43.2 m-70 58.81 -133.76 0.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 110.385 178.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 t -82.76 -9.39 59.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 110.211 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.39 79.97 7.89 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.065 -1.022 . . . . 0.0 109.97 -179.606 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.27 -23.19 62.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 0.0 109.255 179.101 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.85 -40.38 92.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.343 -0.848 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.185 -0.947 . . . . 0.0 109.602 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.78 -40.23 96.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.33 -40.25 85.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 -179.863 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -66.94 -36.21 81.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.321 -0.862 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -69.82 -43.48 71.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.373 -179.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -93.12 -1.98 55.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.511 -0.743 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 52.33 50.02 19.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.499 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.11 153.6 49.73 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.499 -0.751 . . . . 0.0 109.026 179.582 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 61.8 Cg_endo -74.2 150.03 41.68 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.755 1.637 . . . . 0.0 110.91 178.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.61 -21.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.064 1.842 . . . . 0.0 112.507 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.6 t -60.05 -50.09 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.022 -1.049 . . . . 0.0 110.388 -178.839 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.69 -39.95 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.898 -1.126 . . . . 0.0 110.423 -179.029 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.2 74.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.059 . . . . 0.0 109.031 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.48 -39.94 89.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 109.709 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -62.01 -40.14 94.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 110.151 -179.219 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.26 -41.13 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.993 -1.067 . . . . 0.0 108.629 -179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.99 -39.89 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.181 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -27.15 66.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.756 -0.59 . . . . 0.0 110.216 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -94.55 -19.7 20.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.008 -1.057 . . . . 0.0 109.063 -179.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' B' ' 41' ' ' ASP . 14.8 t -60.67 154.92 20.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.263 -0.898 . . . . 0.0 108.933 178.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' B' ' 40' ' ' CYS . 91.8 m-20 -80.36 -69.65 0.58 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 111.449 -178.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -70.46 -37.18 74.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.551 -0.718 . . . . 0.0 112.217 -177.033 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.17 -25.02 61.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.583 -1.323 . . . . 0.0 111.642 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -69.6 -41.21 76.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.423 -1.423 . . . . 0.0 109.82 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 N--CA 1.498 1.943 0 O-C-N 120.972 -1.08 . . . . 0.0 109.459 178.895 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.608 0.718 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.7 145.96 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.732 0.777 . . . . 0.0 110.821 -179.392 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 47.0 t0 -60.04 -39.97 87.75 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.46 -16.52 0.58 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 179.553 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.01 -41.46 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.343 -1.092 . . . . 0.0 108.698 179.128 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.05 -38.89 92.29 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.619 -0.676 . . . . 0.0 109.585 -179.584 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.06 -41.91 93.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.122 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.61 -39.99 93.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -0.864 . . . . 0.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.57 3.51 55.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.241 -0.912 . . . . 0.0 110.655 -178.723 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.5 -42.29 43.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.796 -1.19 . . . . 0.0 109.397 -179.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -38.81 84.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.88 . . . . 0.0 109.959 179.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.3 -39.97 88.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.814 . . . . 0.0 110.565 -178.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.11 -14.83 45.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.95 -1.094 . . . . 0.0 109.835 -179.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 59.41 -134.09 0.89 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.44 -0.787 . . . . 0.0 110.523 179.437 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -84.31 -1.16 54.9 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.317 -0.864 . . . . 0.0 110.687 -178.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.45 6.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.868 -1.145 . . . . 0.0 109.883 -179.643 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.93 -27.73 65.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.97 -41.1 91.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.768 -179.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.88 82.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.952 . . . . 0.0 109.062 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.66 -42.96 99.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 109.474 179.577 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.0 85.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 0.0 109.248 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.33 -38.03 88.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.421 -0.8 . . . . 0.0 109.973 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.96 75.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.37 -0.03 53.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.15 -0.969 . . . . 0.0 109.397 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.62 48.5 22.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.368 -0.833 . . . . 0.0 110.066 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 mt -116.34 153.55 48.73 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.453 -0.779 . . . . 0.0 109.206 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 90.6 Cg_endo -76.21 149.92 32.5 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.047 1.832 . . . . 0.0 111.501 178.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -38.31 -22.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.435 2.09 . . . . 0.0 113.024 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -60.0 -52.47 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.767 -1.208 . . . . 0.0 110.338 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.5 -39.99 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.125 -0.984 . . . . 0.0 110.089 -179.417 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.3 78.3 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.165 -0.959 . . . . 0.0 108.985 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.68 -39.97 90.4 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 109.322 179.118 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.98 -40.84 96.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.495 -0.753 . . . . 0.0 110.662 -179.136 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.33 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.97 -1.081 . . . . 0.0 108.206 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.87 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.172 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.51 -20.37 59.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.832 -0.542 . . . . 0.0 110.535 -179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 m -94.44 -38.31 11.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.906 -1.121 . . . . 0.0 109.581 -179.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.91 130.54 47.24 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.43 -31.31 48.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.993 . . . . 0.0 110.794 -179.039 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -70.82 -40.21 72.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.847 -1.158 . . . . 0.0 109.991 -179.143 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.0 m -86.42 6.09 31.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.097 -1.002 . . . . 0.0 109.791 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.9 tp-100 -78.28 -69.87 0.53 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.44 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 109.328 -179.898 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.72 145.97 24.19 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.823 0.821 . . . . 0.0 110.876 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.449 ' C ' ' N ' ' B' ' 5' ' ' ILE . 47.4 t0 -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -16.4 0.57 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' B' ' 3' ' ' ASP . 79.8 mt -60.05 -41.52 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.274 -1.133 . . . . 0.0 108.689 179.16 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -65.17 -38.9 92.0 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.1 77.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.589 -0.695 . . . . 0.0 109.599 -179.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.11 -41.8 93.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.949 -1.094 . . . . 0.0 109.024 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.72 -39.98 93.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.358 -0.839 . . . . 0.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.46 3.4 55.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.232 -0.917 . . . . 0.0 110.775 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -42.45 40.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.753 -1.217 . . . . 0.0 109.436 -179.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.4 -0.813 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.24 -39.98 88.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 110.639 -178.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.06 -14.85 45.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.89 -1.131 . . . . 0.0 109.853 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 59.36 -134.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.324 -0.86 . . . . 0.0 110.438 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -84.08 -1.32 54.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.351 -0.843 . . . . 0.0 110.652 -178.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.52 6.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.859 -1.151 . . . . 0.0 109.972 -179.586 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -70.08 -27.7 64.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.397 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.96 -41.08 91.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 0.0 109.778 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.9 82.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.15 -0.969 . . . . 0.0 109.004 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.8 ttp -62.55 -42.95 99.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.88 85.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.11 -0.993 . . . . 0.0 109.278 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.46 -38.16 89.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.7 -40.03 76.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 110.481 -179.316 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.52 0.07 52.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.086 -1.009 . . . . 0.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.51 48.48 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.346 -0.846 . . . . 0.0 110.155 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -116.38 153.56 48.79 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.507 -0.746 . . . . 0.0 109.259 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 90.8 Cg_endo -76.21 149.97 32.56 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.039 1.826 . . . . 0.0 111.392 179.013 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.38 -22.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.426 2.084 . . . . 0.0 113.082 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.9 t -59.98 -52.6 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.912 -1.118 . . . . 0.0 110.186 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.37 -39.98 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.965 . . . . 0.0 110.164 -179.448 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.18 78.77 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.972 -1.08 . . . . 0.0 108.977 -179.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.74 -39.99 90.73 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 109.253 179.127 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.11 -40.86 97.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.649 -178.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.23 -40.05 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.028 -1.045 . . . . 0.0 108.251 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.84 -40.0 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.137 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.47 -20.68 60.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.792 -0.567 . . . . 0.0 110.613 -179.79 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.2 m -94.25 -38.31 11.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.924 -1.11 . . . . 0.0 109.662 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.9 130.46 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.105 -0.997 . . . . 0.0 108.422 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.4 -31.32 48.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.984 . . . . 0.0 110.797 -179.057 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.7 -40.44 72.85 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.955 -1.09 . . . . 0.0 110.026 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -86.21 5.99 31.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.154 -0.966 . . . . 0.0 109.809 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -78.12 -69.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 -179.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.262 -0.899 . . . . 0.0 109.366 -179.898 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.647 0.737 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.34 141.48 31.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.64 0.733 . . . . 0.0 110.729 -179.067 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.623 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.97 -15.28 0.16 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 63.6 mt -60.36 -40.6 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -1.129 . . . . 0.0 108.683 178.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.04 -35.84 82.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -37.25 76.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.89 -40.1 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.073 -1.017 . . . . 0.0 109.333 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.26 -40.02 88.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.57 1.91 56.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.029 -1.044 . . . . 0.0 110.927 -178.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.51 -41.09 29.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.798 -1.188 . . . . 0.0 108.922 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.8 mt-10 -60.99 -39.96 91.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.518 -0.739 . . . . 0.0 109.332 179.323 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.99 -40.06 92.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.321 -0.862 . . . . 0.0 109.609 -179.556 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.54 -18.12 32.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 68.5 m-70 57.61 -128.8 1.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.486 -0.759 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -85.37 -9.05 58.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.501 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -78.07 74.91 4.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 0.0 109.654 -179.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.05 -25.1 63.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.572 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.5 -40.19 90.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.952 . . . . 0.0 109.681 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.09 89.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.344 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 ttp -61.88 -40.72 96.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 0.0 109.438 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.86 -40.0 82.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.017 -1.052 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.52 -40.02 77.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.93 -1.55 54.52 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.109 -0.994 . . . . 0.0 108.909 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.5 m120 52.09 50.09 19.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -0.785 . . . . 0.0 110.139 179.174 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.58 153.07 51.97 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.563 -0.711 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.49 154.69 45.31 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.971 1.78 . . . . 0.0 111.316 179.286 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.68 -21.5 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.18 1.92 . . . . 0.0 112.954 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.71 -57.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 110.46 -178.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.79 -40.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 110.132 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.15 70.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.397 178.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.19 -40.53 90.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.022 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.93 -41.29 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 108.326 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.05 -40.04 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.031 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.12 -18.53 58.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.564 -0.71 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -95.07 -40.45 9.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.033 -1.042 . . . . 0.0 109.919 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.3 130.55 46.72 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.008 -1.057 . . . . 0.0 108.614 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -76.42 -32.79 58.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 110.505 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.3 -39.92 74.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.414 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.78 -4.98 59.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.986 -1.071 . . . . 0.0 110.258 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -69.71 -58.21 4.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.059 -1.026 . . . . 0.0 109.509 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.223 -0.923 . . . . 0.0 109.843 -179.784 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.641 0.734 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.4 141.45 31.26 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.643 0.735 . . . . 0.0 110.709 -178.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -60.04 -39.86 87.36 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.683 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -15.39 0.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 178.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 63.6 mt -60.23 -40.63 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -1.143 . . . . 0.0 108.68 178.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.17 -35.7 81.9 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.362 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.1 76.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.516 -0.74 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.026 -1.046 . . . . 0.0 109.336 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.33 -39.99 89.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.168 -0.957 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.61 1.88 57.02 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.118 -0.989 . . . . 0.0 110.898 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.4 -41.1 28.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.826 -1.172 . . . . 0.0 108.904 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.411 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.9 mt-10 -60.95 -39.98 91.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.497 -0.752 . . . . 0.0 109.448 179.307 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.12 -40.01 92.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.557 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.45 -18.21 32.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 109.508 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 68.4 m-70 57.71 -128.75 1.6 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.453 -0.779 . . . . 0.0 110.188 179.309 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 p -85.42 -8.93 58.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.0 110.479 -179.294 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.14 74.81 4.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 109.699 -179.029 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.0 -25.12 63.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.636 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.62 -40.02 90.35 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 109.63 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.06 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.325 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.95 -40.79 96.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 109.39 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.76 -40.01 82.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.88 -1.138 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.5 m -64.33 -39.99 95.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 110.16 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.66 -39.95 76.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.211 -0.931 . . . . 0.0 110.501 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -93.75 -1.63 54.81 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.094 -1.004 . . . . 0.0 108.962 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.5 m120 52.3 49.93 19.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.475 -0.766 . . . . 0.0 110.068 179.061 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -118.56 153.1 51.94 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.526 -0.734 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.56 154.56 44.87 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.996 1.797 . . . . 0.0 111.215 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.51 -21.67 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.153 1.902 . . . . 0.0 112.982 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.57 -57.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.017 -1.052 . . . . 0.0 110.494 -178.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.82 -39.96 76.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.221 -0.925 . . . . 0.0 110.182 -179.075 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.02 71.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.046 -1.034 . . . . 0.0 109.418 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.037 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.32 -40.22 89.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.389 -0.819 . . . . 0.0 109.994 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.22 -41.17 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.049 -1.032 . . . . 0.0 108.363 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.15 -39.95 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.54 58.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.681 -0.637 . . . . 0.0 110.17 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.2 m -95.13 -40.27 9.69 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.052 -1.03 . . . . 0.0 109.932 -179.198 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.41 130.5 46.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 108.536 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -76.41 -32.79 58.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.221 -0.925 . . . . 0.0 110.474 -179.101 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.29 -40.1 74.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 110.378 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.76 -4.76 59.25 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.019 -1.051 . . . . 0.0 110.203 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 66.2 tp60 -69.73 -58.27 4.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 109.509 -179.456 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.205 -0.935 . . . . 0.0 109.787 -179.703 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.13 138.43 37.21 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.9 m-20 -60.23 -36.88 78.73 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.342 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -12.13 0.19 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' ASP . 34.1 mt -59.91 -35.8 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.638 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 57.8 t0 -59.97 -37.06 78.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.39 -0.818 . . . . 0.0 109.244 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.09 -36.69 84.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 109.372 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.42 72.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.264 -0.898 . . . . 0.0 109.764 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.09 -41.2 92.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.079 -1.013 . . . . 0.0 109.588 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -40.01 94.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.36 5.8 50.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.184 -0.948 . . . . 0.0 110.652 -178.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.2 t -49.31 -41.74 39.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.868 -1.145 . . . . 0.0 109.137 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.38 -39.63 91.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.639 -0.663 . . . . 0.0 109.718 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 87.8 tttt -60.48 -39.81 89.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.212 -0.93 . . . . 0.0 110.062 -179.056 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.8 -13.02 43.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.983 -1.073 . . . . 0.0 109.634 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 29.8 m80 58.96 -139.02 0.76 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.434 -0.792 . . . . 0.0 110.242 179.058 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -83.9 -2.32 56.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -0.924 . . . . 0.0 110.342 -179.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.07 82.55 6.12 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.004 -1.06 . . . . 0.0 109.542 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.12 -29.18 66.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.477 -0.764 . . . . 0.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -60.11 -40.34 89.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.898 -1.126 . . . . 0.0 110.4 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.39 89.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.877 -1.139 . . . . 0.0 108.613 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.01 -44.77 96.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.535 -0.728 . . . . 0.0 109.587 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.93 -40.22 75.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.375 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -64.79 -39.73 94.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.404 -0.81 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.88 -39.99 75.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.067 -1.021 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.19 -3.08 57.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.041 . . . . 0.0 109.004 179.518 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.6 m120 52.85 47.14 25.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.508 -0.745 . . . . 0.0 110.735 179.035 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 mt -117.48 151.34 48.07 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.444 -0.785 . . . . 0.0 108.975 179.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.37 153.98 55.91 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.862 1.708 . . . . 0.0 111.652 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.41 -24.14 0.22 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.656 2.237 . . . . 0.0 113.667 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.83 -53.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.99 -1.069 . . . . 0.0 110.112 -178.368 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.62 -40.88 62.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.375 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.33 70.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 0.0 109.56 -179.537 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.31 -39.98 88.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.94 -1.1 . . . . 0.0 109.328 178.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.2 -40.98 95.97 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.132 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.21 -40.17 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.744 -1.222 . . . . 0.0 107.908 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.07 -39.94 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.352 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.81 -19.74 30.74 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.667 -0.645 . . . . 0.0 109.787 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m -92.05 -44.51 8.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.073 -1.017 . . . . 0.0 108.719 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.61 123.95 18.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.64 -21.02 56.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.889 -1.132 . . . . 0.0 109.994 -179.473 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -78.52 -46.88 18.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.963 -1.086 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -79.05 -20.83 47.91 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.085 -1.01 . . . . 0.0 110.209 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.37 -69.09 0.56 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.895 -1.128 . . . . 0.0 108.971 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.351 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.07 138.25 37.4 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -0.843 . . . . 0.0 111.137 -178.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.8 m-20 -60.09 -36.73 78.06 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.267 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.77 -12.04 0.2 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.046 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 33.9 mt -59.93 -35.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.706 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 57.4 t0 -60.34 -37.03 79.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.541 -0.724 . . . . 0.0 109.143 179.243 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -62.82 -37.15 85.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.181 -0.949 . . . . 0.0 109.385 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.41 72.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 -179.479 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.91 -41.14 91.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 -40.06 94.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.47 5.99 49.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.155 -0.966 . . . . 0.0 110.64 -178.726 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -49.36 -41.7 39.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.748 -1.22 . . . . 0.0 108.928 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.49 -39.41 90.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.479 -0.763 . . . . 0.0 109.766 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 87.8 tttt -60.62 -40.05 90.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.037 -1.039 . . . . 0.0 110.053 -179.098 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -87.48 -12.95 44.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.032 -1.043 . . . . 0.0 109.709 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 29.5 m80 58.69 -139.13 0.78 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.496 -0.752 . . . . 0.0 110.207 179.145 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.99 -2.12 56.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -80.22 83.0 6.15 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.42 -28.99 65.49 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.485 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.3 -40.36 90.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.957 -1.089 . . . . 0.0 110.337 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.52 89.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.055 . . . . 0.0 108.629 179.551 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -61.81 -44.85 96.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.626 -0.671 . . . . 0.0 109.655 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.07 -40.01 76.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.144 -0.973 . . . . 0.0 109.381 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.7 m -64.71 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.419 -0.801 . . . . 0.0 110.28 -179.646 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.95 -40.08 75.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.917 -179.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.28 -2.96 57.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.119 -0.988 . . . . 0.0 108.918 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.6 m120 52.64 47.43 24.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 0.0 110.718 178.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 mt -117.59 151.48 48.4 Favored Pre-proline 0 N--CA 1.503 2.206 0 O-C-N 121.353 -0.842 . . . . 0.0 108.841 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.34 154.01 56.07 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.9 1.733 . . . . 0.0 111.603 179.575 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -41.52 -24.04 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.659 2.239 . . . . 0.0 113.671 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.97 -53.0 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.863 -1.148 . . . . 0.0 110.071 -178.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -40.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.923 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.083 -1.011 . . . . 0.0 109.6 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.25 -40.02 88.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 178.698 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.09 -40.79 95.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 -179.181 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.23 -40.16 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.03 -40.2 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.183 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.8 -19.64 29.84 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.738 -179.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.6 m -92.1 -44.12 9.0 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.094 -1.003 . . . . 0.0 108.748 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.03 123.68 17.86 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.46 -20.82 56.63 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.851 -1.156 . . . . 0.0 110.088 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -78.79 -46.92 17.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.974 -1.079 . . . . 0.0 110.242 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.6 m -78.9 -21.0 48.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.051 -1.03 . . . . 0.0 110.225 -179.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.31 -69.49 0.53 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.975 -1.078 . . . . 0.0 108.89 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.4 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.9 mt -98.6 137.02 37.85 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.401 -0.812 . . . . 0.0 111.183 -178.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.4 m-20 -60.76 -39.05 87.3 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.44 -11.7 0.16 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.151 -1.58 . . . . 0.0 109.151 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 41.7 mt -59.79 -32.75 50.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.406 -1.055 . . . . 0.0 108.299 178.815 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.17 -0.956 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.77 -39.49 88.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.177 -0.952 . . . . 0.0 108.569 179.44 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.2 79.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.501 -0.749 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -60.11 -40.91 91.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.83 -1.169 . . . . 0.0 109.021 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -61.55 -40.01 93.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.52 -0.737 . . . . 0.0 110.214 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.1 2.08 56.9 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.277 -0.889 . . . . 0.0 110.386 -178.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.04 -39.68 20.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 96.4 mt-10 -59.86 -39.43 85.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.407 -0.808 . . . . 0.0 109.069 179.865 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.3 tttm -60.42 -39.76 88.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.0 109.73 -179.883 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -85.04 -16.52 40.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 9.1 m80 59.74 -137.28 0.73 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 t -86.7 -1.85 58.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.855 . . . . 0.0 110.285 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.44 79.24 8.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.945 -1.097 . . . . 0.0 109.588 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.96 -25.77 63.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.0 109.809 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.18 78.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.17 -0.956 . . . . 0.0 109.759 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.41 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.0 81.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.094 -1.004 . . . . 0.0 109.583 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.8 m -64.86 -39.95 94.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 0.0 110.76 -179.413 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -70.02 -40.02 75.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.079 -1.013 . . . . 0.0 110.707 -178.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -92.81 -2.26 56.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.155 -0.966 . . . . 0.0 108.978 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m120 52.09 46.64 26.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.402 -0.811 . . . . 0.0 110.03 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.36 151.41 44.35 Favored Pre-proline 0 N--CA 1.501 2.117 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.8 Cg_endo -72.72 150.42 50.29 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.891 1.727 . . . . 0.0 111.538 179.329 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -40.65 -23.72 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.428 2.085 . . . . 0.0 113.122 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.98 -50.57 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.949 -1.094 . . . . 0.0 110.327 -178.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -76.97 -38.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.12 -0.988 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.61 68.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 109.089 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.63 -40.02 90.43 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.37 -40.0 92.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 110.455 -179.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.01 -40.66 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.15 -39.56 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.87 -24.89 64.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.773 -0.579 . . . . 0.0 110.705 -179.525 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -92.52 -34.41 14.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.866 -1.146 . . . . 0.0 109.647 -179.327 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.5 t -60.01 130.63 47.68 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.067 -1.021 . . . . 0.0 108.554 179.022 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -76.69 -34.89 58.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 0.0 110.911 -179.035 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.28 -40.05 74.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 110.868 -178.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -85.32 -1.04 56.54 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.534 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.9 tp-100 -69.5 -57.99 4.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.026 -1.046 . . . . 0.0 109.482 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.462 179.867 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.59 137.08 37.75 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.856 0.836 . . . . 0.0 111.079 -178.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.84 -39.24 88.33 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.17 -11.87 0.15 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' B' ' 3' ' ' ASP . 41.5 mt -59.75 -32.67 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 121.407 -1.055 . . . . 0.0 108.352 178.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -40.03 88.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.061 179.308 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.71 -39.34 88.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 108.625 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.48 80.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -59.93 -40.71 89.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.857 -1.152 . . . . 0.0 108.93 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.66 -40.06 93.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.447 -0.783 . . . . 0.0 110.145 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.13 2.22 56.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.296 -0.877 . . . . 0.0 110.415 -178.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.24 -39.51 21.57 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.001 -1.062 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 96.5 mt-10 -60.03 -39.39 85.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.367 -0.833 . . . . 0.0 109.073 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.437 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.34 -39.85 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.839 . . . . 0.0 109.681 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.0 -16.54 40.46 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.007 -1.058 . . . . 0.0 109.95 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 9.2 m80 59.85 -137.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.738 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 24.8 t -86.36 -1.94 57.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 0.0 110.3 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.51 79.24 8.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.702 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.9 -25.6 63.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.898 . . . . 0.0 109.825 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.48 -40.49 91.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.051 -179.401 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.29 78.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -63.29 -40.08 96.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.978 . . . . 0.0 109.74 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.01 81.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.134 -0.979 . . . . 0.0 109.582 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.4 m -64.8 -39.98 94.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.191 -0.943 . . . . 0.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.67 -178.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -92.8 -2.42 55.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.131 -0.981 . . . . 0.0 109.015 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m120 52.12 46.6 26.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.404 -0.81 . . . . 0.0 109.978 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.18 151.41 44.23 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.33 -0.856 . . . . 0.0 109.463 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.6 Cg_endo -72.72 150.28 50.02 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.99 1.794 . . . . 0.0 111.493 179.326 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -40.66 -23.47 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.367 2.045 . . . . 0.0 113.025 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.06 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.958 -1.089 . . . . 0.0 110.552 -178.74 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.85 -38.21 28.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 109.652 -179.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.27 70.41 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.182 -0.949 . . . . 0.0 109.038 -179.448 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.86 -40.01 91.31 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 110.065 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.34 -39.99 92.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 110.347 -179.115 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.99 -40.64 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 107.901 -179.634 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.14 -39.9 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.392 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -25.02 64.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.672 -0.643 . . . . 0.0 110.681 -179.602 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -92.65 -34.37 14.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.769 -1.207 . . . . 0.0 109.644 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.143 -0.973 . . . . 0.0 108.54 178.914 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -76.67 -35.21 58.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.147 -0.971 . . . . 0.0 110.931 -179.026 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.09 -40.02 75.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.069 -1.019 . . . . 0.0 110.778 -178.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -85.22 -1.12 56.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.911 -1.118 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 71.8 tp60 -69.48 -57.82 4.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.059 -1.026 . . . . 0.0 109.531 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.26 -0.9 . . . . 0.0 109.512 179.898 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.07 138.55 36.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.723 0.773 . . . . 0.0 111.495 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.7 t0 -59.96 -39.99 87.52 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.37 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.6 -10.77 0.25 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 38.1 mt -60.02 -32.49 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.395 -1.062 . . . . 0.0 108.446 179.052 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.08 -39.16 85.13 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.27 -38.06 87.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.417 -0.802 . . . . 0.0 109.096 179.548 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.69 71.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.104 -0.997 . . . . 0.0 109.546 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.44 -0.03 57.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.091 -1.005 . . . . 0.0 110.744 -178.625 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.91 -46.03 42.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.797 -1.189 . . . . 0.0 108.963 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -40.02 87.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.454 -0.779 . . . . 0.0 109.45 179.273 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.297 -0.877 . . . . 0.0 109.756 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.21 -11.19 56.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.934 -1.104 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 58.99 -135.99 0.86 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.538 -0.726 . . . . 0.0 110.46 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -83.94 -4.53 58.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.564 -0.71 . . . . 0.0 110.561 -178.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.64 76.13 7.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.861 -1.149 . . . . 0.0 109.86 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.58 -24.71 62.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.952 . . . . 0.0 109.892 179.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.13 -40.08 92.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.993 . . . . 0.0 109.822 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.68 89.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.22 -42.25 99.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 0.0 109.359 179.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.05 79.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.067 -1.021 . . . . 0.0 109.818 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 41.4 t -65.49 -38.5 89.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.088 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.56 -39.9 77.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.244 -0.91 . . . . 0.0 110.254 -179.348 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.64 0.23 56.41 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.096 -1.002 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 52.11 46.15 27.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.283 -0.886 . . . . 0.0 110.308 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.5 mt -115.52 152.71 47.41 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.469 -0.769 . . . . 0.0 109.356 -179.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 74.3 Cg_endo -74.01 149.99 42.63 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.052 1.835 . . . . 0.0 111.39 179.346 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -39.87 -23.77 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.414 2.076 . . . . 0.0 113.384 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.2 t -60.0 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.849 -1.157 . . . . 0.0 110.454 -178.664 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.92 -40.0 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.147 -0.97 . . . . 0.0 110.176 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.109 -0.995 . . . . 0.0 109.489 -179.25 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -60.02 -40.0 87.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.227 -0.92 . . . . 0.0 110.022 179.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.17 -39.94 92.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 0.0 110.441 -179.085 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.7 -41.63 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.877 -1.139 . . . . 0.0 108.494 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.01 -39.97 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.55 -26.01 65.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.721 -0.612 . . . . 0.0 110.405 -179.618 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -91.6 -33.99 14.89 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.645 -179.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.55 126.1 26.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 108.543 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.28 -34.05 61.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.45 -39.96 74.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.677 -178.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.4 1.12 49.97 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.837 -1.164 . . . . 0.0 109.565 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -77.07 -71.15 0.42 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.179 -0.95 . . . . 0.0 109.157 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.131 179.775 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.03 138.61 36.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.43 -0.794 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.9 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.293 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 -10.78 0.25 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 37.6 mt -60.0 -32.54 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.286 -1.126 . . . . 0.0 108.381 179.085 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.04 -39.12 84.81 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.31 -38.12 88.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.426 -0.796 . . . . 0.0 109.092 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -34.71 71.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.218 -0.926 . . . . 0.0 109.494 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.26 -40.06 88.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -40.03 88.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.353 -0.842 . . . . 0.0 110.546 -179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.48 0.03 57.39 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.037 -1.039 . . . . 0.0 110.725 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -48.9 -46.09 42.29 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.864 -1.147 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.372 179.315 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.51 -39.98 89.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.162 -0.961 . . . . 0.0 109.792 -179.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.28 -11.13 56.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 109.227 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 58.87 -136.16 0.87 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.527 -0.733 . . . . 0.0 110.44 179.156 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.9 m -83.77 -4.51 58.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.509 -0.745 . . . . 0.0 110.65 -178.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.75 76.19 7.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.798 -179.237 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.52 -24.82 62.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.865 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.16 -39.92 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.79 88.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.201 -0.937 . . . . 0.0 109.364 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.16 -42.23 99.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 179.505 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.04 79.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 109.812 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 41.3 t -65.51 -38.53 89.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.045 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.43 -40.12 77.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 0.0 110.256 -179.329 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -93.54 0.21 56.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.128 -0.983 . . . . 0.0 109.552 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' B' ' 24' ' ' SER . 10.0 m120 52.02 46.27 26.89 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.0 110.268 179.073 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.48 152.69 47.34 Favored Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.406 -0.808 . . . . 0.0 109.457 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' B' ' 31' ' ' VAL . 74.5 Cg_endo -73.89 150.01 43.27 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.116 1.877 . . . . 0.0 111.47 179.34 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.02 -23.41 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.325 2.016 . . . . 0.0 113.257 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.03 -52.75 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.86 -1.15 . . . . 0.0 110.546 -178.491 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.75 -39.97 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.172 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.9 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.485 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.99 -40.01 87.72 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.184 -0.948 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.17 -40.11 92.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.191 -0.943 . . . . 0.0 110.364 -179.035 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.52 -41.71 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.866 -1.146 . . . . 0.0 108.569 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.13 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 177.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -59.43 -26.14 64.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.755 -0.591 . . . . 0.0 110.407 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.5 m -91.74 -33.71 14.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.982 -1.074 . . . . 0.0 109.723 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.65 126.01 25.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.066 -1.021 . . . . 0.0 108.567 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -75.12 -34.08 61.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 110.183 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.37 -40.08 74.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.7 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.8 m -85.41 1.18 49.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.011 -1.056 . . . . 0.0 109.671 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.08 -71.14 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -1.0 . . . . 0.0 109.035 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 0.0 109.199 179.803 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.743 0.782 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -94.45 145.8 24.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.559 -0.713 . . . . 0.0 110.288 -179.572 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.01 -39.91 87.43 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.56 -17.96 0.31 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.265 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' ASP . 78.7 mt -60.09 -40.81 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.473 -1.016 . . . . 0.0 108.775 179.035 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.22 -40.06 92.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -66.31 -37.77 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.86 71.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.391 -0.818 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -42.03 93.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 108.931 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.61 -39.99 95.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.568 -0.708 . . . . 0.0 109.933 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.82 8.5 40.92 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.339 -0.851 . . . . 0.0 110.01 -178.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.39 -47.03 56.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.186 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -37.21 81.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 109.766 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -60.47 -36.98 79.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.21 -15.59 49.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.827 -1.171 . . . . 0.0 109.697 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 57.64 -136.95 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.405 -0.809 . . . . 0.0 109.755 179.724 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -83.01 -5.99 59.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.98 -179.709 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -81.08 72.75 8.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.066 -1.021 . . . . 0.0 109.673 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -23.97 63.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.0 -40.32 88.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.215 -0.928 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.23 89.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.101 -0.999 . . . . 0.0 109.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 ttp -62.94 -42.27 99.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.917 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.39 -40.04 85.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 t -67.03 -38.34 85.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.264 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.95 -40.13 79.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.164 -0.96 . . . . 0.0 109.933 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.82 -0.75 47.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.25 -0.906 . . . . 0.0 109.071 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 m120 51.97 49.3 21.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 0.0 109.973 179.53 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.32 125.68 27.99 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.558 -0.714 . . . . 0.0 109.9 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 88.5 Cg_exo -46.91 149.11 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.505 1.47 . . . . 0.0 111.622 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.41 -20.72 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.422 2.081 . . . . 0.0 113.395 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.0 -52.55 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.753 -1.217 . . . . 0.0 111.188 -178.01 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -72.31 -39.95 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.035 -1.04 . . . . 0.0 110.675 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.92 83.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.975 -1.078 . . . . 0.0 108.923 -178.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.03 -40.02 87.91 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 109.774 178.692 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.32 -40.49 97.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 110.339 -179.092 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -41.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.19 -40.03 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 177.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.562 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.63 -18.3 58.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.667 -0.646 . . . . 0.0 109.962 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -93.4 -37.46 11.97 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.857 -1.152 . . . . 0.0 109.223 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.6 t -60.09 130.72 48.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 108.807 179.173 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.97 -26.16 48.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 109.968 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -42.99 62.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.983 . . . . 0.0 110.173 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.5 -3.52 58.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.995 -1.066 . . . . 0.0 110.272 -179.549 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.8 tp-100 -70.03 -59.96 2.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.04 -1.037 . . . . 0.0 109.81 -179.543 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.202 -0.936 . . . . 0.0 109.072 179.876 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.631 0.729 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.34 145.8 24.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.626 -0.671 . . . . 0.0 110.332 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 178.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.37 -18.14 0.3 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' B' ' 3' ' ' ASP . 78.2 mt -60.06 -40.83 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.389 -1.065 . . . . 0.0 108.742 179.123 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.24 -39.96 92.25 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.44 -37.62 85.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.42 -0.8 . . . . 0.0 108.968 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.76 71.59 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 0.0 109.396 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.99 -42.09 93.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.52 -40.0 95.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.558 -0.714 . . . . 0.0 109.929 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.81 8.53 40.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.394 -0.816 . . . . 0.0 109.962 -178.671 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -50.32 -47.03 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 179.59 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.93 -37.25 81.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.543 -0.723 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -60.36 -37.09 79.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 -179.051 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.94 -15.67 50.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.944 -1.098 . . . . 0.0 109.776 -179.258 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 57.62 -137.24 0.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.391 -0.818 . . . . 0.0 109.716 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -82.74 -6.04 59.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 110.04 -179.69 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.07 72.75 8.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.975 -1.078 . . . . 0.0 109.559 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -70.0 -23.95 63.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.148 -0.97 . . . . 0.0 109.352 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.13 -40.25 89.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.11 89.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 49.1 ttp -63.03 -42.19 99.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.96 179.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.46 -40.06 85.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.553 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -66.97 -38.38 85.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.443 -0.785 . . . . 0.0 110.306 -179.481 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.04 -40.06 78.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.967 . . . . 0.0 109.917 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.85 -0.77 47.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 109.0 179.399 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.9 m120 52.06 49.21 21.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.946 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -117.23 125.65 28.03 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' B' ' 31' ' ' VAL . 89.1 Cg_exo -46.88 149.23 3.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.485 1.457 . . . . 0.0 111.61 178.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.61 -20.64 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.337 2.024 . . . . 0.0 113.336 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.5 t -60.04 -52.6 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.757 -1.215 . . . . 0.0 111.178 -178.008 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.98 -40.08 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.799 -1.188 . . . . 0.0 110.79 -178.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.07 83.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 108.962 -178.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.95 -40.05 87.67 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.727 178.721 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.36 -40.04 96.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.26 -179.144 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.72 -41.24 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.815 -1.178 . . . . 0.0 107.831 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.47 -40.0 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.14 61.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.731 -0.606 . . . . 0.0 109.961 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -92.47 -37.21 12.66 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.05 -1.032 . . . . 0.0 109.353 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.18 130.88 48.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 108.865 179.129 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.14 -26.23 47.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -0.998 . . . . 0.0 109.863 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -43.03 62.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.978 . . . . 0.0 110.231 -179.225 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -84.44 -3.45 58.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.014 -1.053 . . . . 0.0 110.217 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -70.06 -60.03 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.028 -1.045 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.288 -0.883 . . . . 0.0 109.119 179.922 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.0 mt -101.25 140.07 36.06 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.622 0.725 . . . . 0.0 111.263 -178.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -60.07 -39.67 86.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.419 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.99 -12.36 0.15 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.349 -1.501 . . . . 0.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.0 mt -59.94 -33.2 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.384 -1.068 . . . . 0.0 108.322 178.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.97 -38.94 83.98 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.654 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.17 -39.42 92.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.459 -0.775 . . . . 0.0 109.361 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.43 70.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 109.759 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.19 -40.8 91.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.956 -1.09 . . . . 0.0 109.305 179.66 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.99 -39.94 91.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.428 -0.795 . . . . 0.0 109.904 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -91.18 0.54 57.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.323 -0.861 . . . . 0.0 110.602 -178.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.71 -44.97 38.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.599 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.45 -36.24 77.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.253 -0.905 . . . . 0.0 110.066 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.3 -37.31 87.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 0.0 109.923 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.65 -11.93 46.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.936 -1.103 . . . . 0.0 109.227 179.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 m80 57.97 -138.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.605 -0.684 . . . . 0.0 110.167 179.287 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.44 -0.84 51.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.046 -179.342 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.61 76.69 7.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.005 . . . . 0.0 109.572 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -26.93 64.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.929 . . . . 0.0 109.954 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -40.05 88.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 110.073 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.1 86.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.7 ttp -63.19 -40.37 97.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.308 -0.87 . . . . 0.0 109.611 179.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.06 -40.02 83.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.047 -1.033 . . . . 0.0 109.626 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -68.71 -34.4 75.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.199 -0.938 . . . . 0.0 109.894 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -69.66 -43.42 72.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.178 -0.951 . . . . 0.0 109.593 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.78 -0.26 54.34 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.454 -0.779 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.5 m120 51.39 48.56 22.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.0 109.871 179.726 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 mt -115.81 150.77 45.46 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.677 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.47 153.32 49.87 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.06 1.84 . . . . 0.0 112.048 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -41.01 -26.9 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.663 2.242 . . . . 0.0 113.437 179.662 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -49.95 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.872 -1.143 . . . . 0.0 110.515 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.37 -40.89 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 110.001 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.99 71.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.138 -0.976 . . . . 0.0 109.575 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.08 -39.88 87.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 179.169 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.68 -40.43 92.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 -179.451 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.73 -41.39 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.027 -1.046 . . . . 0.0 108.435 -179.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.6 -40.1 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.308 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -20.82 56.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -47.24 8.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.925 -1.109 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.67 130.05 44.94 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.21 -28.54 42.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 110.399 -179.009 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.89 -45.32 51.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.093 -1.005 . . . . 0.0 110.818 -178.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 -27.46 54.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.924 -1.11 . . . . 0.0 109.954 -179.436 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -78.98 -69.57 0.56 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.965 . . . . 0.0 108.896 179.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.376 -0.828 . . . . 0.0 109.202 179.832 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 mt -101.19 139.96 36.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.537 -0.727 . . . . 0.0 111.367 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.9 m-20 -59.98 -39.75 86.76 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.2 -12.24 0.16 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 38.6 mt -59.93 -33.23 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.327 -1.102 . . . . 0.0 108.291 178.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.9 -39.01 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 11' ' ' GLU . 64.6 tttm -62.04 -39.44 92.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.525 -0.735 . . . . 0.0 109.413 179.707 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -34.54 71.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.0 109.742 -179.604 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.12 -40.62 90.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.01 -40.03 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.473 -0.767 . . . . 0.0 109.897 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 7' ' ' LYS . 97.7 mt-10 -91.29 0.68 57.48 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.303 -0.873 . . . . 0.0 110.476 -178.794 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.9 -44.76 40.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.644 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.49 -36.43 78.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.943 . . . . 0.0 109.942 179.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.32 -37.18 86.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.138 -0.976 . . . . 0.0 109.964 -179.025 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -87.73 -12.13 46.14 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.942 -1.099 . . . . 0.0 109.115 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 58.18 -138.59 0.84 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.633 . . . . 0.0 110.037 179.226 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.39 -0.87 51.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 110.046 -179.242 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.55 76.71 7.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.624 -179.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.08 -26.98 64.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.863 179.774 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.131 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.21 86.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.089 -1.007 . . . . 0.0 109.405 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 51.6 ttp -63.09 -40.34 97.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.636 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.06 -40.06 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.113 . . . . 0.0 109.597 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t -68.73 -34.32 75.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.285 -0.884 . . . . 0.0 109.926 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.64 -43.55 72.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.636 -179.249 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.86 -0.25 54.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.525 -0.735 . . . . 0.0 109.348 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.6 m120 51.46 48.53 22.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.213 -0.93 . . . . 0.0 109.872 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -115.81 150.82 45.55 Favored Pre-proline 0 N--CA 1.5 2.048 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.5 153.25 49.68 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.088 1.859 . . . . 0.0 111.966 179.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.98 -26.81 0.28 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.634 2.223 . . . . 0.0 113.386 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -49.91 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 110.648 -178.353 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.47 -40.74 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 110.024 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.83 72.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.97 . . . . 0.0 109.561 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.04 -39.97 87.78 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.65 179.143 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.73 -40.43 92.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.062 -179.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.78 -41.54 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.975 -1.078 . . . . 0.0 108.448 -179.917 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.47 -39.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.268 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -20.79 56.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.508 -0.745 . . . . 0.0 109.897 -179.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.37 -47.14 9.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.08 -1.012 . . . . 0.0 108.995 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.84 129.82 43.73 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.88 -28.83 44.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.031 -1.043 . . . . 0.0 110.364 -179.077 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.94 -45.05 52.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.027 -1.046 . . . . 0.0 110.892 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.7 m -77.15 -27.22 53.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.93 -1.106 . . . . 0.0 109.95 -179.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -79.25 -69.56 0.57 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.19 -0.944 . . . . 0.0 108.863 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.836 . . . . 0.0 109.206 179.895 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 90.5 mt -103.99 147.49 27.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.485 0.659 . . . . 0.0 110.098 -179.819 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 94.1 m-20 -59.96 -39.99 87.49 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.638 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.83 -18.94 0.14 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.4 mt -60.1 -41.44 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.601 -0.941 . . . . 0.0 109.307 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.078 -1.014 . . . . 0.0 108.534 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.51 -38.96 92.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.509 -0.744 . . . . 0.0 109.168 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.46 77.57 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.184 -0.948 . . . . 0.0 109.187 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -44.6 94.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.165 -0.959 . . . . 0.0 109.576 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 110.322 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.91 9.55 38.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 109.94 -179.036 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -47.01 -40.6 14.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.146 -0.971 . . . . 0.0 109.719 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.6 mt-10 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 0.0 110.09 179.799 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.1 -39.83 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.973 . . . . 0.0 110.184 -178.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -84.65 -23.6 29.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 109.572 -179.655 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 97.9 m-70 56.92 -127.19 1.87 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.404 -0.81 . . . . 0.0 109.878 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -88.6 -0.53 57.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.217 -0.927 . . . . 0.0 110.186 -179.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.05 73.52 6.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 109.639 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -69.95 -25.77 63.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.32 -40.82 91.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.096 -1.002 . . . . 0.0 110.317 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.9 88.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 108.811 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 36' ' ' ILE . 36.5 ttm -59.99 -47.57 85.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.716 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -58.79 -39.99 82.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.138 -0.976 . . . . 0.0 109.263 -179.715 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.0 m -64.27 -39.83 94.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.492 -0.755 . . . . 0.0 110.173 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.75 69.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.305 -178.588 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.67 -0.01 56.26 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.283 -0.885 . . . . 0.0 109.679 -179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 17.9 m120 53.61 48.09 22.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.31 -0.869 . . . . 0.0 110.642 178.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.3 mt -120.83 152.42 56.07 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.461 -0.775 . . . . 0.0 108.932 179.626 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.04 157.93 58.25 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.8 1.667 . . . . 0.0 111.75 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -44.19 -21.18 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.513 2.142 . . . . 0.0 112.663 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -49.99 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.57 -42.57 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.904 -1.123 . . . . 0.0 111.021 -178.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.14 74.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.81 -1.181 . . . . 0.0 109.411 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.11 -39.97 88.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.205 -0.934 . . . . 0.0 110.018 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.39 -39.9 94.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 110.194 -179.127 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 22' ' ' MET . 81.3 mt -60.52 -40.49 84.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.735 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.01 -39.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.319 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.21 19.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.59 -0.694 . . . . 0.0 109.652 -179.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -88.22 -46.27 9.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.027 . . . . 0.0 109.123 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.07 128.19 35.57 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 108.74 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.52 -23.22 46.39 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.083 -1.011 . . . . 0.0 109.812 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.07 -49.28 14.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.276 -0.89 . . . . 0.0 111.029 -179.569 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -77.48 -24.93 50.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 111.213 -178.333 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.65 -41.77 75.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.804 -1.185 . . . . 0.0 110.347 -178.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 0.0 109.357 -179.77 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.408 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 90.9 mt -104.11 147.56 27.28 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.546 0.688 . . . . 0.0 109.978 -179.682 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.0 m-20 -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.77 -19.08 0.14 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 3' ' ' ASP . 76.5 mt -60.0 -41.52 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.401 -1.058 . . . . 0.0 109.361 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -60.01 -39.91 87.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -0.996 . . . . 0.0 108.571 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.61 -38.99 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.555 -0.715 . . . . 0.0 109.228 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.5 77.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.863 . . . . 0.0 109.221 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.95 -44.7 94.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.02 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.77 -39.98 90.8 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.813 . . . . 0.0 110.375 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.82 9.52 38.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.136 -0.978 . . . . 0.0 109.959 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t -47.03 -40.49 14.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.809 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.5 mt-10 -60.11 -39.82 87.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.895 . . . . 0.0 110.031 179.888 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.17 -39.94 88.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 110.138 -178.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.66 -23.49 29.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.928 -1.108 . . . . 0.0 109.585 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 97.9 m-70 56.86 -127.47 1.87 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.48 -0.763 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -88.28 -0.58 57.29 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.206 -0.934 . . . . 0.0 110.255 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.02 73.53 6.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.989 -1.069 . . . . 0.0 109.658 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -70.09 -25.59 63.59 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.22 -0.925 . . . . 0.0 109.602 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.63 -40.68 92.83 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.106 -0.997 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 88.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.879 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.428 ' SD ' HD12 ' B' ' 36' ' ' ILE . 36.8 ttm -59.98 -47.71 84.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 0.0 109.683 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -58.77 -39.98 82.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.179 -179.7 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 64.8 m -64.14 -39.86 94.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.79 69.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.184 -0.947 . . . . 0.0 110.314 -178.627 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.64 0.01 56.32 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.207 -0.933 . . . . 0.0 109.637 -179.715 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.9 m120 53.51 48.1 22.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.338 -0.851 . . . . 0.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 30.9 mt -120.85 152.36 56.04 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.94 158.0 58.18 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.881 1.721 . . . . 0.0 111.687 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -44.27 -21.26 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.387 2.058 . . . . 0.0 112.728 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -49.99 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -75.27 -42.52 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.7 -1.25 . . . . 0.0 111.075 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.23 74.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.729 -1.232 . . . . 0.0 109.413 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.213 -0.929 . . . . 0.0 110.015 179.182 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.29 -40.18 95.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.168 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.428 HD12 ' SD ' ' B' ' 22' ' ' MET . 81.0 mt -60.42 -40.01 82.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.39 -39.93 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.417 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.46 -20.37 19.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 109.679 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.9 m -87.99 -46.48 9.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.132 -0.98 . . . . 0.0 109.12 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.0 128.17 35.51 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.256 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.43 -23.32 46.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.636 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.14 -49.21 14.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.182 -0.949 . . . . 0.0 111.085 -179.572 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.6 m -77.23 -25.15 51.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.168 -0.958 . . . . 0.0 111.253 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -69.4 -42.06 75.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.827 -1.171 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.099 -1.0 . . . . 0.0 109.389 -179.568 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.99 139.86 33.2 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.705 0.764 . . . . 0.0 110.725 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.8 m-20 -59.99 -39.28 85.19 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -14.92 0.08 OUTLIER Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' ASP . 36.1 mt -58.47 -35.0 52.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.33 -0.856 . . . . 0.0 109.057 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 108.969 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.97 74.86 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 0.0 109.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -60.1 -39.95 87.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.196 -0.94 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.398 -0.814 . . . . 0.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -93.34 3.86 54.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.178 -0.951 . . . . 0.0 110.449 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -48.95 -41.99 35.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.937 -1.102 . . . . 0.0 109.189 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.3 tt0 -60.06 -39.98 87.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.208 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.11 -39.98 92.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.775 . . . . 0.0 109.65 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -87.32 -14.49 40.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.002 . . . . 0.0 109.487 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 67.5 m-70 58.08 -134.68 1.05 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 0.0 110.56 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -86.11 -0.14 54.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 110.172 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.77 75.57 6.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.014 -1.054 . . . . 0.0 109.321 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.98 -27.2 64.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.306 -0.871 . . . . 0.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.01 -40.99 91.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.975 . . . . 0.0 109.881 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.9 81.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.163 -0.961 . . . . 0.0 109.428 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.8 ttp -63.54 -40.49 97.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.195 -0.941 . . . . 0.0 109.762 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.55 -40.1 82.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.919 -1.113 . . . . 0.0 109.219 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.7 m -65.21 -40.0 93.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.443 -0.786 . . . . 0.0 110.146 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -68.58 -40.0 80.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.152 -0.968 . . . . 0.0 110.019 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.81 -1.7 45.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.744 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.8 m120 51.03 47.92 24.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.176 -0.952 . . . . 0.0 110.495 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -114.37 151.42 45.09 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.454 -0.779 . . . . 0.0 109.114 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.7 Cg_endo -70.09 149.33 64.61 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.881 1.721 . . . . 0.0 111.535 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.25 -22.89 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.133 1.888 . . . . 0.0 112.526 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -60.02 -53.17 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.001 . . . . 0.0 110.073 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.16 -40.01 57.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.216 -0.927 . . . . 0.0 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.8 68.1 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.1 -1.0 . . . . 0.0 109.358 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.04 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.045 -1.034 . . . . 0.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 16.1 tm-20 -62.12 -40.0 94.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.804 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.02 -40.1 82.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.12 -40.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.14 -19.74 63.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.868 -0.52 . . . . 0.0 110.717 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.4 m -95.3 -35.12 11.92 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.942 -1.099 . . . . 0.0 109.734 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -59.99 133.6 56.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.927 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.07 -27.69 48.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 110.483 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.31 -43.1 34.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.952 -1.093 . . . . 0.0 110.868 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.6 m -85.55 1.13 50.3 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -0.984 . . . . 0.0 110.979 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -62.89 -49.98 72.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.908 -1.12 . . . . 0.0 109.576 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.16 137.32 32.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.19 -0.944 . . . . 0.0 109.425 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -78.76 131.36 36.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.108 -0.995 . . . . 0.0 109.306 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.86 -141.46 19.38 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -86.62 -102.95 0.07 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.052 -1.264 . . . . 0.0 109.162 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.29 -135.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.7 mtt -80.04 -9.73 59.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.422 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -85.05 115.16 22.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 109.681 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.48 -169.74 41.48 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 4.4 mp0 -81.64 116.41 21.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.088 -1.242 . . . . 0.0 109.207 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 7.5 p -143.76 130.0 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.41 -0.806 . . . . 0.0 109.497 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 83.0 m-20 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.365 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -97.95 139.93 33.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.41 -0.806 . . . . 0.0 110.665 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.0 m-20 -60.04 -39.31 85.47 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.57 -14.89 0.08 OUTLIER Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' B' ' 3' ' ' ASP . 36.3 mt -58.5 -35.0 52.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -59.96 -40.06 87.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.058 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.97 -39.94 95.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 108.974 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -36.13 74.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 109.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.0 88.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.817 . . . . 0.0 110.355 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -93.37 3.93 54.81 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.094 -1.004 . . . . 0.0 110.454 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.94 -42.14 36.31 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.87 -1.144 . . . . 0.0 109.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.447 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.423 -0.798 . . . . 0.0 109.252 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.462 -0.774 . . . . 0.0 109.713 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -87.13 -14.6 40.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.077 -1.015 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 67.2 m-70 58.12 -134.57 1.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.404 -0.81 . . . . 0.0 110.585 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -86.14 -0.22 55.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.451 -0.781 . . . . 0.0 110.17 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.76 75.73 6.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.04 . . . . 0.0 109.3 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -69.99 -27.32 64.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.831 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.91 81.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.194 -0.941 . . . . 0.0 109.436 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.47 -40.41 97.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.61 -40.12 82.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.005 -1.059 . . . . 0.0 109.155 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.1 m -65.17 -40.05 93.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.45 -0.781 . . . . 0.0 110.139 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.61 -39.94 80.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 110.018 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -96.87 -1.7 45.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.349 -0.844 . . . . 0.0 109.663 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.9 m120 51.04 47.96 23.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.194 -0.942 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -114.42 151.4 45.12 Favored Pre-proline 0 N--CA 1.501 2.081 0 O-C-N 121.412 -0.805 . . . . 0.0 109.106 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.5 Cg_endo -70.1 149.38 64.61 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 121.874 1.716 . . . . 0.0 111.577 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -41.28 -22.88 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.114 1.876 . . . . 0.0 112.527 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 29' ' ' PRO . 79.6 t -60.08 -53.17 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.098 -1.002 . . . . 0.0 110.076 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.1 -39.93 57.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.262 -0.899 . . . . 0.0 109.889 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.83 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.176 -0.953 . . . . 0.0 109.404 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.12 -39.94 88.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.017 . . . . 0.0 109.591 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 16.1 tm-20 -62.17 -39.99 94.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.357 -0.839 . . . . 0.0 110.756 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.97 -40.06 81.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 120.89 -1.131 . . . . 0.0 107.961 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.08 -40.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 -19.64 63.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.869 -0.519 . . . . 0.0 110.728 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 62.6 m -95.2 -35.19 11.94 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.935 -1.103 . . . . 0.0 109.819 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.3 t -59.97 133.54 56.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.246 -0.908 . . . . 0.0 108.999 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.04 -27.78 48.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.157 -0.964 . . . . 0.0 110.477 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -77.21 -43.11 34.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 0.0 110.918 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.57 0.95 51.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.128 -0.982 . . . . 0.0 111.012 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.8 -49.97 72.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 109.562 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.5 mt -90.12 137.32 32.44 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.183 -0.948 . . . . 0.0 109.449 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -78.74 131.49 36.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.103 -0.998 . . . . 0.0 109.286 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.8 -141.45 19.08 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -86.63 -102.79 0.07 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.077 -1.249 . . . . 0.0 109.267 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.33 -135.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.313 -0.867 . . . . 0.0 109.38 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtt -79.96 -9.9 59.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.368 -0.832 . . . . 0.0 109.444 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -84.73 115.38 22.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 109.774 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -169.74 41.6 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.471 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 4.4 mp0 -81.65 116.28 21.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.073 -1.251 . . . . 0.0 109.225 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.437 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 7.6 p -143.66 129.96 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.351 -0.843 . . . . 0.0 109.47 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 83.2 m-20 . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.414 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -101.17 137.89 38.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.774 . . . . 0.0 110.894 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 64.2 t0 -59.96 -38.34 82.19 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.01 -9.6 0.22 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 25.6 mt -58.36 -34.38 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -1.109 . . . . 0.0 108.433 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' HA ' HE21 ' A' ' 9' ' ' GLN . 60.2 t0 -60.12 -39.6 86.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.132 -0.98 . . . . 0.0 108.906 178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.18 -37.4 80.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.448 -0.783 . . . . 0.0 109.525 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.17 72.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 6' ' ' ASP . 35.9 mt-30 -59.99 -40.09 87.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.021 -1.05 . . . . 0.0 109.72 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.89 -39.95 91.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -95.05 2.37 55.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.131 -0.98 . . . . 0.0 110.525 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.25 -44.19 53.49 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.904 -1.122 . . . . 0.0 110.174 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.18 -0.95 . . . . 0.0 109.636 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.15 -35.09 77.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 109.762 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -86.88 -12.84 46.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.027 -1.046 . . . . 0.0 109.688 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 58.93 -139.48 0.75 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.18 0.44 51.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.27 -0.894 . . . . 0.0 110.21 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 82.66 6.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -71.52 -23.86 61.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 109.401 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.04 -40.13 88.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.962 . . . . 0.0 110.178 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.76 92.42 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.038 -1.039 . . . . 0.0 108.558 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.2 ttm -60.09 -46.15 90.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.8 . . . . 0.0 109.192 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.55 -39.99 85.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.486 -0.759 . . . . 0.0 109.793 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -67.6 -40.02 84.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 110.697 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -98.72 0.62 44.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.281 -0.887 . . . . 0.0 109.277 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ALA . 16.0 m120 52.84 41.46 31.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.774 . . . . 0.0 110.316 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 44.8 mt -108.58 151.72 41.78 Favored Pre-proline 0 N--CA 1.501 2.095 0 O-C-N 121.282 -0.886 . . . . 0.0 109.414 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.2 152.76 56.45 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.86 1.706 . . . . 0.0 111.734 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -42.49 -23.33 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.236 1.957 . . . . 0.0 112.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.041 -1.037 . . . . 0.0 110.223 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.69 -43.15 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 110.767 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.41 77.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.93 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.34 -40.09 92.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.116 -0.99 . . . . 0.0 109.607 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.23 -39.98 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.062 -1.024 . . . . 0.0 108.452 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.69 -40.21 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -63.03 -16.25 59.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.628 -0.67 . . . . 0.0 109.883 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.2 m -95.05 -37.61 11.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.094 -1.004 . . . . 0.0 109.81 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.1 133.03 55.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.094 -1.004 . . . . 0.0 108.889 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.34 -28.64 47.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.161 -0.962 . . . . 0.0 109.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.6 64.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 110.457 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.37 2.19 51.1 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.993 -1.067 . . . . 0.0 110.483 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.04 -70.07 0.51 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 109.348 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.8 mt -82.08 149.52 28.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.445 -0.784 . . . . 0.0 109.899 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' GLY . 97.9 mttt -77.41 173.83 11.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.433 -0.792 . . . . 0.0 109.645 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . -40.99 -92.67 0.01 OUTLIER Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.89 -3.68 57.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.077 -1.249 . . . . 0.0 110.465 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 51' ' ' HIS . . . 47.78 -143.15 0.42 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.909 -1.12 . . . . 0.0 109.807 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.8 ttt 40.0 -88.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.681 -0.637 . . . . 0.0 111.26 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.4 m-70 -82.58 164.73 20.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.004 -1.06 . . . . 0.0 110.378 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.89 14.61 57.68 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -79.05 150.28 31.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -1.179 . . . . 0.0 109.402 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 54' ' ' VAL . 30.1 m -93.44 -7.22 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.32 -0.862 . . . . 0.0 109.871 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.575 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.18 137.92 38.89 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 5' ' ' ILE . 64.2 t0 -59.99 -38.38 82.43 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 -9.58 0.22 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' B' ' 3' ' ' ASP . 25.6 mt -58.29 -34.47 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.331 -1.099 . . . . 0.0 108.584 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.424 ' HA ' HE21 ' B' ' 9' ' ' GLN . 60.4 t0 -59.89 -39.69 86.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 0.0 108.86 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.28 -37.38 80.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.429 -0.794 . . . . 0.0 109.495 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.04 72.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.521 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.424 HE21 ' HA ' ' B' ' 6' ' ' ASP . 35.8 mt-30 -60.04 -40.0 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.985 -1.072 . . . . 0.0 109.724 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.91 -40.07 91.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.283 -0.886 . . . . 0.0 110.443 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -94.94 2.41 55.38 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.094 -1.004 . . . . 0.0 110.682 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -50.4 -44.06 54.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.9 -1.125 . . . . 0.0 110.232 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -0.92 . . . . 0.0 109.644 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.17 -34.92 77.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.704 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -87.05 -12.86 46.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.971 -1.081 . . . . 0.0 109.703 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 58.96 -139.57 0.74 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.391 -0.818 . . . . 0.0 110.068 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.9 t -85.04 0.24 52.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.91 82.79 5.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.089 . . . . 0.0 109.817 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -71.51 -23.96 61.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.88 -40.15 87.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.042 -1.036 . . . . 0.0 110.224 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.8 92.62 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 108.625 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.506 ' SD ' HD12 ' B' ' 36' ' ' ILE . 34.1 ttm -60.02 -46.0 90.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.47 -0.769 . . . . 0.0 109.345 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.78 -39.98 86.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.65 -39.93 84.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 110.726 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -70.0 -39.96 75.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -0.922 . . . . 0.0 110.335 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -98.78 0.55 44.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 0.0 109.229 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' B' ' 23' ' ' ALA . 16.0 m120 52.96 41.36 32.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.768 . . . . 0.0 110.354 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 44.9 mt -108.54 151.55 41.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.12 152.79 56.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.792 1.661 . . . . 0.0 111.634 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -42.41 -23.37 0.29 Allowed 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.221 1.948 . . . . 0.0 112.734 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -50.0 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.043 -1.036 . . . . 0.0 110.305 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -42.91 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.948 -1.095 . . . . 0.0 110.795 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.187 -0.946 . . . . 0.0 109.983 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.21 -40.03 92.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.595 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.24 -40.18 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.017 -1.052 . . . . 0.0 108.458 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -62.95 -16.35 59.08 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.654 -0.654 . . . . 0.0 109.852 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -94.93 -37.79 11.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.994 -1.066 . . . . 0.0 109.827 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.96 133.12 55.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.133 -0.98 . . . . 0.0 108.81 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.48 -28.62 46.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.096 -1.002 . . . . 0.0 109.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.27 -40.59 64.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 110.507 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.5 m -87.29 2.05 51.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.083 -1.011 . . . . 0.0 110.52 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.465 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.1 tp60 -77.99 -70.02 0.51 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.914 -1.116 . . . . 0.0 109.409 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.02 149.63 28.01 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.451 -0.78 . . . . 0.0 109.909 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 47' ' ' GLY . 97.9 mttt -77.49 173.82 11.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.402 -0.811 . . . . 0.0 109.498 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . -41.12 -92.63 0.01 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.404 -1.079 . . . . 0.0 110.404 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -89.78 -3.81 57.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.183 -1.186 . . . . 0.0 110.472 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 51' ' ' HIS . . . 47.84 -143.1 0.43 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.874 -1.141 . . . . 0.0 109.8 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.0 ttt 39.93 -89.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.655 -0.653 . . . . 0.0 111.252 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' B' ' 49' ' ' ALA . 91.6 m-70 -81.79 164.4 21.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.049 -1.032 . . . . 0.0 110.483 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.05 14.69 57.34 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -79.03 150.23 31.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.183 -1.186 . . . . 0.0 109.373 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 54' ' ' VAL . 31.0 m -93.36 -7.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 109.501 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.68 0.752 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.66 143.08 31.24 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.586 0.708 . . . . 0.0 110.644 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 67.0 t0 -60.0 -39.32 85.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.63 -13.31 0.16 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.5 mt -59.9 -39.77 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.285 -1.127 . . . . 0.0 108.222 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -39.96 87.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.79 -39.99 95.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.692 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.55 -41.98 95.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.102 -0.999 . . . . 0.0 110.448 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.74 -40.01 93.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.0 110.112 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -95.55 7.75 45.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.328 -0.858 . . . . 0.0 110.42 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -50.6 -44.92 57.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.893 -1.129 . . . . 0.0 109.383 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.98 -37.39 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.42 -39.43 87.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.0 110.191 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -84.35 -17.87 38.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.003 -1.061 . . . . 0.0 109.773 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m80 58.04 -126.58 1.58 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.427 -0.795 . . . . 0.0 110.714 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.4 t -86.79 -3.68 59.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.423 -0.798 . . . . 0.0 110.829 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.07 72.42 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.793 -1.192 . . . . 0.0 109.736 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -69.91 -25.31 63.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.088 -1.007 . . . . 0.0 108.471 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.17 -40.17 88.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.795 . . . . 0.0 109.662 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.89 92.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 109.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 36' ' ' ILE . 27.7 ttm -59.94 -47.03 87.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.869 . . . . 0.0 109.706 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -59.74 -41.51 91.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.99 -1.069 . . . . 0.0 109.451 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 m -64.78 -37.2 86.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 0.0 110.073 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -40.02 77.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 110.169 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -98.45 0.07 44.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.281 -0.887 . . . . 0.0 109.395 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.7 m120 54.69 45.57 26.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.493 -0.754 . . . . 0.0 110.59 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.615 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.6 mt -118.36 150.01 47.02 Favored Pre-proline 0 N--CA 1.501 2.119 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.7 Cg_endo -70.53 157.43 58.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.982 1.788 . . . . 0.0 112.202 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -42.08 -21.47 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.59 2.193 . . . . 0.0 112.794 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.97 -50.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.94 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -75.33 -43.0 43.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 110.307 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.02 83.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.038 -1.039 . . . . 0.0 109.714 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.0 -40.05 87.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.244 -0.91 . . . . 0.0 109.11 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -63.21 -40.01 96.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.091 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.6 mt -61.98 -40.35 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.968 -1.083 . . . . 0.0 108.301 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.45 -19.32 63.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.7 -0.625 . . . . 0.0 110.256 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -95.36 -34.07 12.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.088 -1.008 . . . . 0.0 110.247 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.95 136.41 58.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.955 -1.09 . . . . 0.0 109.044 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.88 -39.99 61.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.938 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.79 -39.99 72.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.043 -1.036 . . . . 0.0 111.656 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.27 0.43 41.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.739 -1.226 . . . . 0.0 110.438 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.54 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.3 tp-100 -78.9 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 109.547 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.95 140.48 31.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.69 130.98 35.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.145 -0.972 . . . . 0.0 108.938 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.83 -138.93 18.81 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.2 -77.93 0.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.466 -1.02 . . . . 0.0 109.376 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.75 -50.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.937 . . . . 0.0 110.096 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttt -73.59 138.66 45.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.158 -0.964 . . . . 0.0 109.471 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -152.12 160.43 43.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.735 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.0 38.44 0.91 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.24 149.1 31.98 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.352 -1.087 . . . . 0.0 109.02 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 54' ' ' VAL . 13.6 p -104.19 130.41 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.498 -0.751 . . . . 0.0 109.33 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 84.1 m-20 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.389 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.57 143.01 31.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.493 0.663 . . . . 0.0 110.607 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' B' ' 5' ' ' ILE . 66.7 t0 -59.99 -39.19 84.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 -13.13 0.17 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.6 mt -59.93 -39.87 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.298 -1.119 . . . . 0.0 108.101 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.86 -39.93 95.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.55 -0.719 . . . . 0.0 109.656 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.8 71.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.08 -1.013 . . . . 0.0 109.667 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.48 -42.05 95.47 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.01 -1.057 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.63 -39.98 93.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.173 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -95.6 7.75 45.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.314 -0.866 . . . . 0.0 110.508 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -50.55 -44.91 56.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.85 -1.156 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.02 -37.35 79.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 0.0 109.578 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -60.58 -39.31 87.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.227 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -84.29 -17.95 37.95 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.97 -1.081 . . . . 0.0 109.785 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.96 -126.67 1.6 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.502 -0.749 . . . . 0.0 110.755 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -86.76 -3.61 59.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.06 72.65 6.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.817 -1.177 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 -70.03 -25.44 63.57 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.151 -0.968 . . . . 0.0 108.441 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.07 88.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.833 . . . . 0.0 109.726 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.92 92.36 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.386 -0.822 . . . . 0.0 109.099 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.415 ' SD ' HD12 ' B' ' 36' ' ' ILE . 27.8 ttm -60.0 -47.05 87.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 0.0 109.564 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.56 -41.71 90.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.976 -1.077 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -64.77 -37.1 86.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.04 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.25 -40.1 78.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.164 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -98.6 0.13 44.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.258 -0.901 . . . . 0.0 109.401 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' B' ' 23' ' ' ALA . 20.8 m120 54.72 45.59 26.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.565 -0.709 . . . . 0.0 110.501 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.619 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.5 mt -118.41 150.01 47.09 Favored Pre-proline 0 N--CA 1.502 2.152 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.8 Cg_endo -70.6 157.33 59.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.073 1.849 . . . . 0.0 112.213 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.92 -21.77 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.672 2.248 . . . . 0.0 112.919 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.0 t -59.98 -49.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.192 -0.943 . . . . 0.0 110.949 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.28 -43.03 43.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.95 -1.094 . . . . 0.0 110.242 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.96 83.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 109.799 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -59.96 -40.04 87.68 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.327 -0.858 . . . . 0.0 109.134 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -63.4 -39.99 96.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 0.0 110.118 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.415 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -61.83 -40.47 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.013 -1.054 . . . . 0.0 108.353 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.57 -39.98 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -18.87 63.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.763 -0.585 . . . . 0.0 110.293 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -95.51 -34.15 12.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.938 -1.101 . . . . 0.0 110.256 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 6.7 t -59.73 136.63 58.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.946 -1.096 . . . . 0.0 108.97 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -75.23 -39.94 59.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 110.919 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.73 -39.97 73.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.111 -0.993 . . . . 0.0 111.764 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -82.25 0.55 40.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.776 -1.203 . . . . 0.0 110.248 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.54 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 72.9 tp60 -79.1 -69.94 0.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.107 -0.996 . . . . 0.0 109.585 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -83.96 140.37 31.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.54 130.96 35.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.114 -0.991 . . . . 0.0 109.045 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.05 -138.99 19.95 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.28 -78.11 0.36 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -1.091 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.62 -50.03 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.86 . . . . 0.0 110.0 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.9 ttt -73.35 138.89 45.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 109.509 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -152.3 160.13 43.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.707 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.68 38.49 0.93 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -79.31 148.86 31.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.26 -1.141 . . . . 0.0 109.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 54' ' ' VAL . 13.4 p -103.92 130.38 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.504 -0.747 . . . . 0.0 109.332 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 84.2 m-20 . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.469 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.16 143.01 32.51 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.643 0.735 . . . . 0.0 111.294 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.9 m-20 -59.98 -38.32 82.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.37 -13.9 0.16 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.9 mt -60.04 -37.96 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -1.044 . . . . 0.0 108.663 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.46 ' HA ' HE21 ' A' ' 9' ' ' GLN . 93.5 m-20 -60.01 -39.28 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.261 -0.9 . . . . 0.0 109.158 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.31 -36.83 78.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.363 -0.836 . . . . 0.0 109.059 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.44 77.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 110.079 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.46 HE21 ' HA ' ' A' ' 6' ' ' ASP . 44.5 mt-30 -60.0 -41.07 91.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.115 . . . . 0.0 109.553 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.41 -40.08 89.68 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.283 -0.886 . . . . 0.0 109.517 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -96.63 5.38 50.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.407 -0.808 . . . . 0.0 111.162 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.88 -41.09 32.21 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.622 -1.299 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.04 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.334 -0.854 . . . . 0.0 109.171 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.58 -37.67 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.85 . . . . 0.0 110.013 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.14 -20.02 30.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.916 -1.115 . . . . 0.0 109.527 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m80 58.22 -138.27 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.486 -0.759 . . . . 0.0 110.349 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -83.86 -0.89 53.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.391 -0.818 . . . . 0.0 109.821 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.67 76.78 8.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 0.0 108.969 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.05 -26.32 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.217 -0.927 . . . . 0.0 109.639 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.45 -42.17 95.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.152 -0.968 . . . . 0.0 110.371 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.44 79.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.12 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.0 ttp -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.358 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.4 -39.69 80.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.973 -1.08 . . . . 0.0 109.529 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 t -66.91 -38.44 86.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.55 -39.92 77.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.061 -1.024 . . . . 0.0 109.961 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.6 -5.73 45.13 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.124 -0.985 . . . . 0.0 109.075 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.2 m120 52.96 43.1 32.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.392 -0.817 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -109.28 127.7 26.75 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.28 -0.888 . . . . 0.0 109.573 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.3 Cg_exo -44.64 145.46 2.71 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.663 1.575 . . . . 0.0 112.113 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -38.94 -20.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.631 2.221 . . . . 0.0 113.534 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.5 t -59.92 -50.49 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.85 -1.156 . . . . 0.0 110.565 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.41 -42.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.02 -1.05 . . . . 0.0 110.441 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -51.15 70.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.15 -39.95 88.17 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -60.04 -43.55 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.828 . . . . 0.0 110.218 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.41 -47.92 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.966 -1.084 . . . . 0.0 108.594 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.24 -46.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.217 -0.927 . . . . 0.0 108.807 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -62.28 -20.15 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.586 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -95.61 -31.54 13.23 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.1 -1.0 . . . . 0.0 109.417 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.83 133.44 56.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.133 -0.979 . . . . 0.0 108.511 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.14 -29.76 54.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.751 -1.218 . . . . 0.0 110.659 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.01 -46.74 27.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 111.176 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.17 -22.66 38.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.959 -1.088 . . . . 0.0 111.531 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.5 tt0 -69.56 -58.18 4.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.771 -1.206 . . . . 0.0 110.016 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 47' ' ' GLY . 88.9 mt -80.83 153.53 27.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.06 -1.025 . . . . 0.0 108.537 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -75.9 20.2 0.19 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.094 -1.004 . . . . 0.0 109.962 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . 94.56 -92.73 1.57 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -82.89 129.61 35.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.161 -1.2 . . . . 0.0 109.469 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -78.87 -3.32 44.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.266 -0.896 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -69.97 144.6 52.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 110.459 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.562 ' CD2' ' H ' ' A' ' 51' ' ' HIS . 7.5 p80 -89.27 11.74 18.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.706 -0.621 . . . . 0.0 109.462 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.0 97.34 0.82 Allowed Glycine 0 N--CA 1.488 2.167 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 51' ' ' HIS . 13.9 mp0 -79.15 149.37 32.02 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -1.17 . . . . 0.0 108.999 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.38 -19.21 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.148 -0.97 . . . . 0.0 109.708 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.15 142.99 32.53 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.689 0.757 . . . . 0.0 111.275 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.56 -13.91 0.18 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' B' ' 3' ' ' ASP . 46.4 mt -59.95 -38.12 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.47 -1.018 . . . . 0.0 108.655 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.449 ' HA ' HE21 ' B' ' 9' ' ' GLN . 93.6 m-20 -60.04 -39.25 85.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.37 -0.831 . . . . 0.0 109.155 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.16 -36.97 78.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 0.0 109.029 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.47 77.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.0 110.098 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.449 HE21 ' HA ' ' B' ' 6' ' ' ASP . 44.7 mt-30 -59.94 -41.04 90.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.823 -1.173 . . . . 0.0 109.519 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.51 -39.99 89.79 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.499 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -96.64 5.41 50.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.321 -0.862 . . . . 0.0 111.165 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.98 -41.05 32.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.616 -1.303 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.03 -39.94 87.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.212 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -61.45 -37.83 84.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 110.068 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.91 -20.22 31.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.048 . . . . 0.0 109.551 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.7 m80 58.24 -138.69 0.83 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.404 -0.81 . . . . 0.0 110.302 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -83.32 -1.01 52.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.501 -0.749 . . . . 0.0 109.915 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.66 76.88 8.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.049 -1.032 . . . . 0.0 109.013 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.09 -26.71 64.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.292 -0.88 . . . . 0.0 109.606 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -60.13 -41.93 93.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.385 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.11 79.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.022 -1.049 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -60.98 -43.62 98.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.352 -0.842 . . . . 0.0 109.366 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.37 -39.84 80.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.0 -1.062 . . . . 0.0 109.575 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.3 t -66.8 -38.14 85.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.238 -0.914 . . . . 0.0 110.091 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.85 -39.94 76.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.065 . . . . 0.0 109.914 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.68 -5.76 44.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.107 -0.996 . . . . 0.0 109.081 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 23' ' ' ALA . 27.4 m120 53.02 43.09 32.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.356 -0.84 . . . . 0.0 110.601 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.32 127.67 26.8 Favored Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.304 -0.873 . . . . 0.0 109.587 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 98.6 Cg_exo -44.71 145.57 2.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.578 1.519 . . . . 0.0 112.102 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -39.04 -20.55 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.649 2.232 . . . . 0.0 113.607 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.8 t -59.98 -50.41 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.864 -1.148 . . . . 0.0 110.624 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.51 -42.38 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.999 -1.063 . . . . 0.0 110.397 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.91 71.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.001 -1.062 . . . . 0.0 109.416 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -60.28 -40.06 89.05 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.126 -0.984 . . . . 0.0 109.482 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -60.02 -43.36 95.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.259 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.53 -47.87 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.897 -1.127 . . . . 0.0 108.603 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -46.34 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.237 -0.915 . . . . 0.0 108.841 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -62.14 -20.3 63.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.808 . . . . 0.0 109.483 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -95.33 -31.59 13.36 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.084 -1.01 . . . . 0.0 109.437 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 t -58.88 133.28 55.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.154 -0.966 . . . . 0.0 108.546 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -77.05 -29.48 55.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.772 -1.205 . . . . 0.0 110.688 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -76.17 -46.68 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.994 -1.066 . . . . 0.0 111.157 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.2 m -81.26 -22.4 38.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.925 -1.109 . . . . 0.0 111.57 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 55.8 tt0 -69.81 -58.22 4.15 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.722 -1.236 . . . . 0.0 110.056 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' B' ' 47' ' ' GLY . 89.2 mt -80.74 153.77 27.62 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -76.0 19.87 0.21 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.975 -1.078 . . . . 0.0 109.978 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . 94.87 -92.89 1.56 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -82.72 129.87 35.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.267 . . . . 0.0 109.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -79.02 -3.54 45.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 0.0 109.143 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -69.82 145.1 52.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.128 -0.982 . . . . 0.0 110.432 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.558 ' O ' ' NE2' ' B' ' 53' ' ' GLN . 7.4 p80 -89.39 11.01 20.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.609 -0.682 . . . . 0.0 109.533 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.33 97.56 0.77 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.558 ' NE2' ' O ' ' B' ' 51' ' ' HIS . 14.0 mp0 -79.33 149.45 31.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.224 -1.163 . . . . 0.0 108.961 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.48 -19.22 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.049 -1.032 . . . . 0.0 109.647 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.082 -1.011 . . . . 0.0 109.355 179.792 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.62 142.72 27.12 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.607 0.718 . . . . 0.0 110.766 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.2 t0 -60.04 -40.0 87.88 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.94 -18.14 0.12 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.124 -1.591 . . . . 0.0 109.124 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.7 mt -59.96 -40.16 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.432 -1.04 . . . . 0.0 108.864 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -65.58 -39.28 91.45 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.69 77.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.549 -0.719 . . . . 0.0 110.004 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.1 -41.04 91.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.98 -1.075 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -39.98 92.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -0.836 . . . . 0.0 109.607 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.25 9.81 38.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.484 -0.76 . . . . 0.0 111.005 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -50.12 -41.36 48.49 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.789 -1.195 . . . . 0.0 108.91 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.02 -36.73 80.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 109.634 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.08 -40.03 88.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.4 -0.813 . . . . 0.0 110.331 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.13 -17.93 33.67 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.84 -1.163 . . . . 0.0 109.79 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.2 m80 56.71 -127.01 1.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.527 -0.733 . . . . 0.0 109.913 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.5 m -86.0 -8.78 57.72 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.04 74.94 6.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.835 -1.166 . . . . 0.0 109.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -69.97 -26.94 64.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.497 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.02 90.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.37 -0.832 . . . . 0.0 110.424 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.9 89.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.258 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.92 -42.44 99.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.408 -0.807 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.04 -40.06 76.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.213 -0.93 . . . . 0.0 109.196 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.56 -35.86 79.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.417 -0.802 . . . . 0.0 109.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -70.02 -43.08 72.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 109.597 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.29 -0.3 53.0 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.402 -0.811 . . . . 0.0 109.605 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.1 50.07 18.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.294 -0.879 . . . . 0.0 110.498 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.26 151.07 47.41 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.535 -0.728 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.56 151.06 52.35 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.175 1.917 . . . . 0.0 111.312 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -41.29 -24.17 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.279 1.986 . . . . 0.0 113.217 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.97 -57.03 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.006 -1.059 . . . . 0.0 110.484 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.04 -40.0 77.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.473 -0.767 . . . . 0.0 110.517 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.957 -1.089 . . . . 0.0 109.246 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 109.934 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.74 -40.81 93.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.534 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -41.2 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.885 -1.134 . . . . 0.0 108.366 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.1 t -67.63 -39.94 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.54 -23.82 59.2 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.658 -0.651 . . . . 0.0 110.323 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 m -95.14 -30.8 13.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.919 -1.113 . . . . 0.0 109.63 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.76 129.29 41.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.145 -0.972 . . . . 0.0 108.563 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -74.52 -39.27 62.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 111.04 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.1 -39.93 75.22 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.958 -1.089 . . . . 0.0 110.73 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.2 m -84.66 5.73 26.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.771 -1.206 . . . . 0.0 110.094 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -77.46 -69.98 0.5 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.054 -1.029 . . . . 0.0 109.154 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.3 mt -86.0 129.62 34.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -73.03 -22.34 60.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 108.519 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.56 -6.25 82.24 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -83.99 -5.48 59.23 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.433 -1.039 . . . . 0.0 108.357 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.24 138.49 49.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.596 -0.69 . . . . 0.0 109.664 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.6 mtt -155.5 105.59 2.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -88.96 -4.38 58.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.198 -0.939 . . . . 0.0 109.951 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.42 100.31 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -152.34 -76.65 0.13 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.241 -1.152 . . . . 0.0 109.088 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 m -97.13 137.88 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.235 -0.916 . . . . 0.0 109.226 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.41 179.721 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.74 142.76 27.09 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.644 0.735 . . . . 0.0 110.776 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.3 t0 -60.04 -39.9 87.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.85 -18.23 0.12 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.6 mt -60.12 -40.01 82.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.496 -1.003 . . . . 0.0 108.944 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -65.55 -39.16 91.41 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.87 77.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.535 -0.728 . . . . 0.0 110.051 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.94 -41.19 91.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.135 -0.978 . . . . 0.0 109.31 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.26 -40.14 92.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.335 -0.853 . . . . 0.0 109.606 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.15 9.57 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.449 -0.782 . . . . 0.0 110.974 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -49.92 -41.3 45.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.806 -1.184 . . . . 0.0 108.959 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.11 -36.99 81.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.472 -0.767 . . . . 0.0 109.464 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.368 -0.832 . . . . 0.0 110.338 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -86.19 -17.9 33.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.755 -1.216 . . . . 0.0 109.66 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 56.73 -126.86 1.91 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.501 -0.749 . . . . 0.0 109.98 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 m -86.21 -8.74 57.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.636 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.13 75.08 6.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.762 -1.211 . . . . 0.0 109.751 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.2 p-90 -70.05 -27.02 64.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.511 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.17 89.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -41.01 89.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.021 . . . . 0.0 109.317 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -61.83 -42.46 99.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 109.6 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.99 -40.09 75.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.946 . . . . 0.0 109.236 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -67.57 -36.05 80.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.46 -0.775 . . . . 0.0 109.718 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -69.88 -43.11 72.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.223 -0.923 . . . . 0.0 109.68 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.18 -0.36 53.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.323 -0.861 . . . . 0.0 109.671 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.4 m120 53.3 50.0 18.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.283 -0.886 . . . . 0.0 110.42 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -117.32 151.07 47.49 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.512 -0.742 . . . . 0.0 109.295 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -72.75 151.24 51.42 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.122 1.882 . . . . 0.0 111.268 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.35 -24.0 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.28 1.987 . . . . 0.0 113.255 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.15 -56.98 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.944 -1.097 . . . . 0.0 110.483 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -39.89 77.8 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 121.442 -0.786 . . . . 0.0 110.554 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.73 76.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.853 -1.154 . . . . 0.0 109.228 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -60.04 -39.92 87.58 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.179 -0.951 . . . . 0.0 109.921 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.82 -40.59 93.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 110.499 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.25 -41.34 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.93 -1.106 . . . . 0.0 108.274 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -67.42 -40.01 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.5 -23.94 59.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.601 -0.687 . . . . 0.0 110.24 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.1 m -95.02 -30.72 13.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.998 -1.064 . . . . 0.0 109.739 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.2 t -59.84 129.28 41.09 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.083 -1.011 . . . . 0.0 108.571 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -74.3 -39.57 62.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.891 . . . . 0.0 111.048 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.02 -39.93 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.859 -1.151 . . . . 0.0 110.854 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -84.57 5.62 27.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.798 -1.189 . . . . 0.0 110.084 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -77.45 -69.94 0.5 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.064 . . . . 0.0 109.097 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 mt -85.95 129.71 34.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.459 -0.775 . . . . 0.0 109.732 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -73.25 -22.18 60.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.026 -1.046 . . . . 0.0 108.42 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.63 -6.46 82.12 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -83.94 -5.64 59.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.434 -1.039 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.89 138.13 49.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.512 -0.743 . . . . 0.0 109.572 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.0 mtt -154.98 105.16 2.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.192 -0.943 . . . . 0.0 109.193 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -88.28 -4.66 58.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.942 . . . . 0.0 110.241 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.27 100.41 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -152.44 -76.58 0.13 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.179 -1.189 . . . . 0.0 109.04 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.412 HG22 ' H ' ' B' ' 54' ' ' VAL . 6.0 m -97.35 137.76 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.281 -0.887 . . . . 0.0 109.184 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.325 179.794 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.667 0.746 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -98.43 142.01 30.58 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.64 . . . . 0.0 110.612 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.03 -40.01 87.84 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.84 -16.61 0.22 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 80.5 mt -60.48 -40.41 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.345 -1.091 . . . . 0.0 108.647 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.95 -39.99 91.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.94 -39.72 94.81 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' CYS . . . -59.68 -31.97 70.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.523 -0.735 . . . . 0.0 109.746 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -59.98 -49.84 76.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.75 -38.5 85.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.453 -0.779 . . . . 0.0 109.648 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -89.01 -2.3 58.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.281 -0.887 . . . . 0.0 109.89 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' ALA . 46.4 t -50.83 -36.3 36.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.885 -1.134 . . . . 0.0 109.627 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 86.5 tt0 -60.13 -39.95 88.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 110.143 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.68 -39.99 90.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.514 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -85.75 -24.16 27.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.855 -1.153 . . . . 0.0 109.795 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 66.6 m80 56.51 -119.14 1.27 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.487 -0.758 . . . . 0.0 109.993 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.46 -8.61 56.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.841 . . . . 0.0 110.501 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -78.94 68.2 4.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.942 -1.099 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.01 -25.42 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 109.337 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.31 -41.31 93.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 0.0 109.565 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.88 77.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.213 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.1 ttp -62.16 -42.2 99.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.832 . . . . 0.0 109.718 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.08 83.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.078 -1.013 . . . . 0.0 108.718 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 m -67.14 -37.34 83.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.552 -0.717 . . . . 0.0 110.105 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.63 -40.02 76.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.011 -1.055 . . . . 0.0 110.151 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -95.24 0.6 54.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.152 -0.968 . . . . 0.0 109.03 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 51.91 49.87 19.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -115.36 154.82 47.58 Favored Pre-proline 0 N--CA 1.501 2.085 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_endo -76.09 149.26 32.18 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.498 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -39.06 -25.81 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.53 2.153 . . . . 0.0 113.4 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -59.91 -50.24 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.97 -1.081 . . . . 0.0 110.743 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.61 -39.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.008 -1.058 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.25 66.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.242 -0.911 . . . . 0.0 109.267 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.04 -39.92 87.6 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 109.384 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.73 -40.16 91.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.0 110.396 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.92 -41.09 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.006 -1.059 . . . . 0.0 108.861 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.82 -38.71 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.03 -22.12 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.782 -0.573 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.6 m -91.44 -33.31 15.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.891 -1.131 . . . . 0.0 109.358 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.38 -26.29 46.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.149 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.52 -39.99 67.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.984 -1.072 . . . . 0.0 110.068 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.3 m -81.34 -6.94 59.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 109.855 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.5 tp-100 -78.86 -70.1 0.52 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 109.639 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -88.25 138.13 31.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.235 -0.915 . . . . 0.0 109.791 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.31 149.1 33.55 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.21 -39.25 89.75 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -83.49 146.61 28.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -1.185 . . . . 0.0 109.688 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.95 78.71 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.152 -0.968 . . . . 0.0 109.708 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.7 ttt -160.45 102.02 1.37 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -87.51 160.79 18.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.8 168.98 41.25 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -156.15 -18.45 0.1 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 0.0 109.135 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.4 t -90.1 -73.4 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.359 -0.838 . . . . 0.0 109.469 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.322 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.66 0.743 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.39 142.04 30.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.556 -0.715 . . . . 0.0 110.663 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.2 m-20 -60.12 -39.96 88.08 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -16.59 0.22 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 80.3 mt -60.31 -40.35 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.256 -1.144 . . . . 0.0 108.703 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.11 -39.96 91.95 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -63.83 -39.8 95.1 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 12' ' ' CYS . . . -59.65 -31.78 69.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.366 -0.834 . . . . 0.0 109.795 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.1 -49.76 76.39 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.84 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.73 -38.45 85.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 0.0 109.766 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -89.18 -2.44 58.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 109.806 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' B' ' 8' ' ' ALA . 47.0 t -50.7 -36.32 35.49 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.846 -1.159 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.543 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 86.3 tt0 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.6 -40.03 90.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -0.972 . . . . 0.0 110.398 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -85.89 -24.09 26.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.919 -1.113 . . . . 0.0 109.826 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 66.5 m80 56.5 -119.25 1.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.457 -0.777 . . . . 0.0 109.954 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 58.2 m -87.31 -8.65 56.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.333 -0.854 . . . . 0.0 110.532 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.91 68.1 4.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.986 -1.071 . . . . 0.0 109.849 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.0 -25.53 63.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.262 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -41.29 93.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 0.0 109.565 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.97 77.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 0.0 109.273 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.99 -42.18 98.86 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.65 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.01 83.01 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.995 -1.065 . . . . 0.0 108.742 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -67.25 -37.27 83.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.606 -0.684 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.67 -39.97 76.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.025 -1.047 . . . . 0.0 110.207 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -95.27 0.5 53.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -1.0 . . . . 0.0 108.929 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m120 51.92 49.94 19.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt -115.5 154.68 47.76 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.498 -0.751 . . . . 0.0 109.049 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.96 149.29 32.74 Favored 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.86 1.707 . . . . 0.0 111.453 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -38.99 -25.96 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.584 2.189 . . . . 0.0 113.386 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -50.17 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.896 -1.128 . . . . 0.0 110.79 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.51 -39.43 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.074 -1.016 . . . . 0.0 109.974 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.1 66.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.281 -0.887 . . . . 0.0 109.152 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -60.18 -40.03 88.54 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.352 -0.843 . . . . 0.0 109.322 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.64 -40.29 91.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.468 -0.77 . . . . 0.0 110.398 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.955 -1.09 . . . . 0.0 108.814 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.99 -38.82 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.04 -22.07 62.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.911 -0.493 . . . . 0.0 110.527 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.0 m -91.3 -33.09 15.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.914 -1.117 . . . . 0.0 109.365 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.96 131.61 51.4 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.31 -26.53 46.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.0 110.011 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.48 -40.12 67.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.029 -1.044 . . . . 0.0 109.909 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -81.26 -6.64 59.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.205 -0.935 . . . . 0.0 109.879 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 49.5 tp60 -79.12 -69.98 0.54 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.76 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 138.07 31.76 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.569 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.36 149.23 33.45 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.24 89.93 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -83.41 146.61 28.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -1.183 . . . . 0.0 109.696 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.02 78.79 0.2 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.199 -0.938 . . . . 0.0 109.735 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.7 ttt -160.63 101.09 1.32 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 160.72 18.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.174 -0.954 . . . . 0.0 110.032 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.74 169.01 41.31 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -156.16 -18.47 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -1.156 . . . . 0.0 108.901 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 t -90.05 -73.36 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.394 -0.816 . . . . 0.0 109.417 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.412 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.48 145.05 25.47 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.801 0.81 . . . . 0.0 110.854 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.7 m-20 -60.07 -39.94 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.26 -15.4 0.41 Allowed Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.21 -41.5 87.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.069 -1.253 . . . . 0.0 108.673 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.18 -40.05 88.63 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.81 92.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.36 75.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 109.673 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -43.53 95.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.79 -39.9 93.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.846 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -91.19 1.05 57.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.369 -0.832 . . . . 0.0 110.417 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -40.92 35.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.781 -1.2 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -38.35 82.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.436 -0.79 . . . . 0.0 109.651 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.45 -39.75 94.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.275 -0.891 . . . . 0.0 109.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.14 -19.21 28.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.076 -1.015 . . . . 0.0 109.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 57.64 -133.03 1.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.552 -0.717 . . . . 0.0 110.492 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.6 p -82.25 -8.27 59.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.568 -0.708 . . . . 0.0 110.845 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.07 78.07 4.56 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 109.656 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.03 -26.14 63.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.492 -0.755 . . . . 0.0 109.277 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.18 -40.37 93.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.12 79.86 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.187 -0.946 . . . . 0.0 109.489 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.61 -41.35 98.94 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.238 -0.914 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.92 -40.4 88.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 109.148 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m -65.7 -38.9 90.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.421 -0.8 . . . . 0.0 109.759 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -68.61 -45.75 71.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -92.57 -0.87 57.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.348 -0.845 . . . . 0.0 109.213 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.4 m-80 51.79 49.79 20.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.312 -0.868 . . . . 0.0 110.482 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -114.14 153.59 46.29 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.508 -0.745 . . . . 0.0 109.426 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' VAL . 86.2 Cg_endo -78.46 151.14 25.59 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.249 1.966 . . . . 0.0 111.366 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -38.03 -22.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.357 2.038 . . . . 0.0 113.324 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' PRO . 62.6 t -59.51 -61.39 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.856 -1.152 . . . . 0.0 110.105 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.99 -40.15 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.45 -0.781 . . . . 0.0 110.672 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.04 79.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.698 -1.251 . . . . 0.0 109.326 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -60.58 -39.96 89.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.175 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.13 -42.11 94.1 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.2 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.14 -40.25 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.932 -1.105 . . . . 0.0 108.206 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.12 -40.0 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.72 27.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.684 -0.635 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -92.01 -45.61 8.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.96 130.12 45.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.283 -0.886 . . . . 0.0 108.74 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -79.73 -27.25 40.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.012 -1.055 . . . . 0.0 110.019 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.08 -45.35 49.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.994 -1.066 . . . . 0.0 110.564 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 71.7 m -79.87 -29.97 40.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.149 -0.969 . . . . 0.0 110.773 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.2 -56.05 6.87 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.937 -1.102 . . . . 0.0 111.089 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.36 152.65 28.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.161 -0.962 . . . . 0.0 110.234 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -79.85 155.9 27.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.414 -0.804 . . . . 0.0 110.01 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.2 -89.98 0.01 OUTLIER Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -83.76 111.58 19.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.026 -1.279 . . . . 0.0 109.239 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -78.29 -110.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.0 109.645 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.459 ' O ' ' O ' ' A' ' 49' ' ' ALA . 23.9 ttt 55.96 157.74 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.563 0.697 . . . . 0.0 110.18 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -84.6 158.45 20.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 109.63 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.14 67.85 0.79 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.54 154.5 28.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.022 -1.281 . . . . 0.0 108.457 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 54' ' ' VAL . 9.5 p -95.77 126.31 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.062 -1.024 . . . . 0.0 109.283 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 74.6 m-20 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.524 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.422 0.629 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -95.29 144.97 25.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.87 . . . . 0.0 110.927 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.5 m-20 -60.02 -39.93 87.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -14.94 0.41 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' ASP . 77.9 mt -60.63 -41.38 87.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.127 -1.22 . . . . 0.0 108.593 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -40.09 88.91 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.52 -38.61 91.78 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.499 -0.751 . . . . 0.0 109.033 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.25 75.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.03 -43.59 95.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.901 -1.125 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -61.67 -39.97 93.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.429 -0.795 . . . . 0.0 109.768 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -91.41 1.27 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.36 -40.96 37.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.874 -1.141 . . . . 0.0 109.444 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.17 -37.98 81.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.7 -39.78 95.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.837 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -87.06 -19.21 28.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.104 -0.998 . . . . 0.0 109.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 57.45 -133.05 1.29 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.57 0.7 . . . . 0.0 110.502 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -82.08 -8.39 59.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.576 -0.703 . . . . 0.0 110.818 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -77.95 77.94 4.45 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -26.01 63.81 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.476 -0.765 . . . . 0.0 109.339 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.15 -40.46 93.93 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.08 79.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.218 -0.926 . . . . 0.0 109.549 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.62 -41.4 98.98 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.93 -40.41 88.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.073 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.65 -38.87 90.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -68.72 -45.65 70.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.687 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.65 -0.82 57.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.415 -0.803 . . . . 0.0 109.309 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' B' ' 23' ' ' ALA . 3.4 m-80 51.73 49.83 20.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.388 -0.82 . . . . 0.0 110.584 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -114.21 153.66 46.35 Favored Pre-proline 0 N--CA 1.503 2.193 0 O-C-N 121.511 -0.743 . . . . 0.0 109.343 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' B' ' 31' ' ' VAL . 87.9 Cg_endo -78.42 151.34 25.89 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.233 1.955 . . . . 0.0 111.447 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -38.24 -22.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.429 2.086 . . . . 0.0 113.268 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.8 t -59.66 -61.4 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.81 -1.181 . . . . 0.0 110.072 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.95 -40.03 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.48 -0.763 . . . . 0.0 110.709 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.29 78.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.691 -1.255 . . . . 0.0 109.206 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.369 -0.832 . . . . 0.0 109.194 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.99 -42.32 93.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.335 -0.853 . . . . 0.0 110.34 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.9 -40.31 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.948 -1.095 . . . . 0.0 108.18 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.14 -40.0 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.9 27.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.709 -0.619 . . . . 0.0 109.743 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.2 m -91.91 -45.47 8.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.2 -0.937 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.96 130.11 45.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.34 -0.85 . . . . 0.0 108.898 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.69 -27.27 40.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.091 -1.005 . . . . 0.0 110.061 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.03 -45.4 49.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.038 . . . . 0.0 110.632 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.87 -30.04 40.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.025 -1.047 . . . . 0.0 110.806 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -71.33 -55.61 7.67 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.929 -1.107 . . . . 0.0 111.208 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.53 152.6 28.58 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.109 -0.994 . . . . 0.0 110.258 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -80.03 155.64 27.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.436 -0.79 . . . . 0.0 109.955 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.08 -90.23 0.01 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -83.48 111.61 19.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.214 -1.168 . . . . 0.0 109.174 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -78.25 -110.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 0.0 109.713 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.455 ' O ' ' O ' ' B' ' 49' ' ' ALA . 23.7 ttt 55.7 157.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.68 0.752 . . . . 0.0 110.202 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -83.66 158.48 21.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 0.0 109.839 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.14 67.45 0.79 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.32 153.85 29.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -1.222 . . . . 0.0 108.383 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.476 ' O ' HG13 ' B' ' 54' ' ' VAL . 9.3 p -95.38 126.39 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.091 -1.005 . . . . 0.0 109.254 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 74.7 m-20 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.646 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.32 143.36 29.66 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.568 0.699 . . . . 0.0 110.696 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.2 t0 -59.97 -38.79 83.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -16.12 0.4 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' ASP . 72.1 mt -60.13 -41.42 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 0.0 108.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.32 -40.04 89.15 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -61.54 -39.29 90.55 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.586 -0.696 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.31 -39.88 84.46 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.05 -43.97 95.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.744 -1.223 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.89 -39.94 93.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.521 -0.737 . . . . 0.0 110.131 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.04 8.68 38.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 110.135 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -51.03 -40.34 58.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.048 -1.033 . . . . 0.0 109.197 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.6 -39.86 89.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.403 -0.811 . . . . 0.0 110.214 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -62.03 -40.04 94.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.005 -1.059 . . . . 0.0 109.606 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.62 -15.47 34.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.136 -0.977 . . . . 0.0 109.075 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.7 m80 57.81 -137.09 0.94 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.62 -0.675 . . . . 0.0 109.714 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.0 t -85.97 -0.13 54.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.35 76.9 8.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.008 -1.058 . . . . 0.0 109.48 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -70.02 -26.33 64.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.119 -0.988 . . . . 0.0 109.666 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.14 -40.77 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 110.1 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.05 79.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.962 . . . . 0.0 108.8 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.493 ' C ' ' SD ' ' A' ' 22' ' ' MET . 15.4 tmm? -60.13 -47.57 85.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.555 -0.716 . . . . 0.0 109.106 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -55.47 -39.6 70.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.111 -0.993 . . . . 0.0 109.438 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -65.29 -40.0 93.29 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.692 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.07 -40.02 75.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.229 -0.919 . . . . 0.0 110.229 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -95.66 -0.42 51.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.075 -1.015 . . . . 0.0 109.243 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.2 m120 50.28 43.63 26.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.116 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -106.94 121.49 44.69 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.397 -0.815 . . . . 0.0 109.903 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' VAL . 98.5 Cg_exo -44.42 145.31 2.58 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.672 1.581 . . . . 0.0 111.284 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.69 -21.42 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.072 1.848 . . . . 0.0 113.396 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.3 t -58.49 -57.8 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.809 -1.182 . . . . 0.0 110.337 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.98 -40.8 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 0.0 110.044 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.59 72.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.033 -1.042 . . . . 0.0 109.774 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -59.97 -39.04 84.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.57 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.405 -0.81 . . . . 0.0 110.62 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.2 -40.28 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.839 -1.163 . . . . 0.0 108.941 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.7 -40.09 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.41 -21.97 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.693 . . . . 0.0 110.278 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -91.96 -38.64 12.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.998 -1.063 . . . . 0.0 109.732 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.9 132.69 54.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.664 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -79.88 -30.69 40.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 0.0 110.488 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -71.96 -40.38 68.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.971 . . . . 0.0 110.284 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.2 m -86.3 7.39 25.59 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.09 -1.006 . . . . 0.0 109.756 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -78.99 -70.0 0.53 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.0 109.833 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -83.81 140.69 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.839 . . . . 0.0 109.409 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -71.35 -35.79 71.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.211 -0.931 . . . . 0.0 109.005 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.52 -14.37 9.3 Favored Glycine 0 N--CA 1.502 3.071 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 43.7 mp0 -85.36 129.48 34.8 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.915 -1.344 . . . . 0.0 109.701 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.82 -62.34 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.097 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.7 mtt -76.97 140.91 40.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.361 -0.837 . . . . 0.0 109.517 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -86.19 141.87 29.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 109.565 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.68 158.44 8.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -81.83 120.27 24.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.008 -1.289 . . . . 0.0 109.07 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.14 120.9 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.48 -179.762 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.406 HD12 HD21 ' B' ' 28' ' ' LEU . 81.2 mt -99.45 143.57 29.55 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.601 -0.687 . . . . 0.0 110.623 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 5' ' ' ILE . 37.2 t0 -60.01 -38.53 82.94 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.31 -15.89 0.47 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' B' ' 3' ' ' ASP . 72.4 mt -60.19 -41.64 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.213 -1.169 . . . . 0.0 108.62 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.08 -40.02 88.09 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.71 -38.81 89.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.511 -0.743 . . . . 0.0 109.222 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.81 86.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 0.0 110.342 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.05 -44.05 94.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.683 -1.261 . . . . 0.0 109.203 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.9 -40.01 93.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.538 -0.726 . . . . 0.0 109.991 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.12 8.63 39.31 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.147 -0.971 . . . . 0.0 110.105 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 47.8 t -50.83 -40.16 55.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.263 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.81 -39.93 90.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 0.0 110.214 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.88 -39.99 93.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.968 . . . . 0.0 109.6 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.61 -15.6 34.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.097 -1.002 . . . . 0.0 109.074 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 57.72 -137.2 0.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.649 -0.657 . . . . 0.0 109.707 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -85.75 -0.2 54.58 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.26 -0.9 . . . . 0.0 110.288 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.26 77.09 8.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.917 -1.115 . . . . 0.0 109.516 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -69.98 -26.61 64.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.08 -40.94 91.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.007 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.97 79.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.496 ' C ' ' SD ' ' B' ' 22' ' ' MET . 15.3 tmm? -60.11 -47.43 85.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.468 -0.77 . . . . 0.0 109.025 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -55.62 -39.45 70.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.523 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -65.39 -40.05 92.99 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.331 -0.856 . . . . 0.0 109.678 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.98 -40.01 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.235 -0.916 . . . . 0.0 110.221 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -95.62 -0.48 51.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.142 -0.974 . . . . 0.0 109.297 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.2 m120 50.35 43.45 26.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.923 . . . . 0.0 110.117 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.406 HD21 HD12 ' B' ' 2' ' ' LEU . 24.2 mt -106.93 121.48 44.73 Favored Pre-proline 0 N--CA 1.498 1.925 0 O-C-N 121.496 -0.753 . . . . 0.0 109.944 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 31' ' ' VAL . 99.0 Cg_exo -44.35 145.32 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.627 1.551 . . . . 0.0 111.234 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.76 -21.12 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.175 1.917 . . . . 0.0 113.294 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -58.57 -57.75 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.898 -1.126 . . . . 0.0 110.35 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -41.01 78.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.43 -0.794 . . . . 0.0 110.016 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.52 72.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.113 -0.992 . . . . 0.0 109.763 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.08 -39.02 84.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.433 -0.792 . . . . 0.0 110.558 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.96 -40.96 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.82 -1.175 . . . . 0.0 108.904 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.26 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 108.596 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.99 62.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 110.299 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.28 -38.51 12.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.075 -1.016 . . . . 0.0 109.639 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.95 132.78 55.0 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.029 -1.044 . . . . 0.0 108.579 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -80.11 -30.59 39.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.107 -0.995 . . . . 0.0 110.44 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -72.0 -40.66 68.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.03 -1.043 . . . . 0.0 110.23 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -86.12 7.53 24.5 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.107 -0.996 . . . . 0.0 109.678 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -79.19 -70.08 0.53 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.267 -0.896 . . . . 0.0 109.824 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 mt -83.57 140.76 32.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.359 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -71.46 -36.01 71.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.923 . . . . 0.0 109.004 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.93 -14.49 9.04 Favored Glycine 0 N--CA 1.502 3.071 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' B' ' 48' ' ' GLU . 43.7 mp0 -85.27 129.35 34.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.943 -1.327 . . . . 0.0 109.789 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.7 -62.43 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.6 mtt -76.65 140.36 40.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.476 -0.765 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -85.67 141.98 29.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.072 -1.017 . . . . 0.0 109.575 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.39 158.5 8.38 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 108.851 -1.7 . . . . 0.0 108.851 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -81.96 120.46 25.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.885 -1.362 . . . . 0.0 109.176 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.15 120.3 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.436 -0.79 . . . . 0.0 108.928 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.494 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.592 0.711 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 143.03 31.07 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.713 . . . . 0.0 110.771 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.5 m-20 -60.0 -39.38 85.56 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.39 -15.13 0.12 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.5 mt -60.06 -36.02 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.527 -0.984 . . . . 0.0 108.485 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.39 82.39 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 37.6 ttmt -62.71 -39.95 95.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.467 -0.771 . . . . 0.0 109.236 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.79 77.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.202 -0.936 . . . . 0.0 109.944 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -60.03 -40.54 89.69 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -40.34 90.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.408 -0.807 . . . . 0.0 110.581 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 31.2 mp0 -100.53 15.75 26.94 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -49.2 -43.88 42.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.9 -1.125 . . . . 0.0 109.4 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.3 -34.25 73.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.621 -0.675 . . . . 0.0 110.148 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -60.03 -39.22 85.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -85.3 -16.3 40.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.883 -1.136 . . . . 0.0 108.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.87 -132.9 1.41 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 109.986 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.9 p -83.19 -7.49 59.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.202 -0.936 . . . . 0.0 110.199 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.5 76.11 5.01 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.98 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.5 p-90 -69.97 -23.65 63.2 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.395 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -39.98 89.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.99 92.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.948 . . . . 0.0 109.562 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.89 -42.36 98.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.67 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -66.22 -39.98 89.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 0.0 110.591 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.91 -40.08 75.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.014 -1.054 . . . . 0.0 110.316 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -96.79 -1.65 45.82 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.265 -0.897 . . . . 0.0 109.605 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.6 m120 53.49 43.64 30.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.209 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 mt -112.92 151.61 44.22 Favored Pre-proline 0 N--CA 1.501 2.106 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.26 154.62 51.61 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.001 1.8 . . . . 0.0 112.362 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.01 -26.27 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.878 2.385 . . . . 0.0 113.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.88 -50.31 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 120.917 -1.114 . . . . 0.0 110.152 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.06 -41.89 52.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.032 -1.042 . . . . 0.0 110.431 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.53 68.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.861 -1.149 . . . . 0.0 109.808 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.29 -40.01 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.107 -0.995 . . . . 0.0 109.906 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.89 -40.05 91.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 0.0 110.271 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.03 -40.62 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.044 -1.035 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.98 -40.07 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.69 -17.73 25.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.742 -0.599 . . . . 0.0 110.067 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -91.67 -45.24 8.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.929 -1.107 . . . . 0.0 108.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.47 129.42 41.91 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.07 -33.95 50.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.913 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.958 -1.089 . . . . 0.0 110.891 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.0 m -77.91 -30.46 50.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.859 -1.15 . . . . 0.0 110.211 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -76.09 -64.19 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.054 -1.029 . . . . 0.0 108.827 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -86.26 125.94 33.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' CD ' ' H ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -79.97 158.94 26.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.33 -5.48 89.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -81.98 130.01 34.95 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.307 -1.113 . . . . 0.0 109.416 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.84 -68.41 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.938 . . . . 0.0 109.436 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 99.0 mtp -76.9 159.3 30.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 108.827 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.583 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 8.1 p80 -77.82 -35.06 51.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.218 -0.926 . . . . 0.0 110.004 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 -175.25 0.06 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -82.25 151.67 26.71 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -1.152 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 54' ' ' VAL . 3.4 m -95.55 135.8 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.087 -1.008 . . . . 0.0 109.242 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.327 -179.735 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 74.3 mt -100.52 142.99 31.23 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.57 0.7 . . . . 0.0 110.82 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.2 m-20 -60.01 -39.25 85.18 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.35 -15.37 0.13 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.1 mt -59.9 -36.15 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -1.01 . . . . 0.0 108.49 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.97 -38.42 82.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.449 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 37.5 ttmt -62.64 -40.04 95.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.401 -0.812 . . . . 0.0 109.247 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.86 77.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -59.99 -40.66 89.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.032 -1.043 . . . . 0.0 109.87 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -40.4 90.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.366 -0.834 . . . . 0.0 110.606 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 31.2 mp0 -100.47 15.58 27.44 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.24 -43.96 43.21 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.977 -1.077 . . . . 0.0 109.377 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.21 -34.32 73.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.58 -0.7 . . . . 0.0 110.226 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.99 -39.32 85.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.776 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -85.21 -16.27 40.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.976 -1.078 . . . . 0.0 108.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m80 56.93 -132.71 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.498 -0.752 . . . . 0.0 110.044 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -83.35 -7.51 59.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 110.186 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -78.54 76.26 5.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.222 -0.924 . . . . 0.0 109.916 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 70.6 p-90 -70.11 -23.7 63.08 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.282 -0.886 . . . . 0.0 109.293 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.24 -40.0 88.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.018 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.95 91.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.923 . . . . 0.0 109.52 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttm -61.84 -42.52 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.181 -0.949 . . . . 0.0 109.735 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.91 -40.01 87.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 109.762 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -66.25 -39.9 89.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.337 -0.852 . . . . 0.0 110.661 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.96 -40.03 75.65 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.001 -1.062 . . . . 0.0 110.294 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -96.94 -1.63 45.34 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.23 -0.919 . . . . 0.0 109.564 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 53.4 43.83 30.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.05 151.67 44.34 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.24 154.54 51.64 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.056 1.837 . . . . 0.0 112.307 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -40.95 -26.31 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.889 2.392 . . . . 0.0 113.853 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.02 -49.91 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.853 -1.154 . . . . 0.0 110.278 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -74.37 -41.6 50.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.047 -1.033 . . . . 0.0 110.395 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.48 69.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.961 -1.087 . . . . 0.0 109.737 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.19 -40.06 88.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.026 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.0 -39.9 91.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.287 -0.883 . . . . 0.0 110.266 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.11 -40.44 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.041 -1.037 . . . . 0.0 108.404 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.06 -40.06 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.9 27.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.642 -0.661 . . . . 0.0 110.006 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -91.5 -45.11 8.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.979 -1.076 . . . . 0.0 108.684 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -59.64 129.42 41.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -77.93 -34.03 51.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 111.06 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.71 -42.86 70.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.993 -1.067 . . . . 0.0 110.951 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.6 m -78.14 -30.32 49.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.849 -1.157 . . . . 0.0 110.167 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -76.14 -64.38 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.083 -1.011 . . . . 0.0 108.864 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.07 126.1 33.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.016 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -80.03 159.08 26.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.213 -0.929 . . . . 0.0 109.101 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.5 -5.25 90.08 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -82.09 130.07 34.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -1.142 . . . . 0.0 109.433 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.84 -68.82 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.212 -0.93 . . . . 0.0 109.355 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 99.3 mtp -76.5 158.9 30.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.03 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.6 ' H ' ' CD2' ' B' ' 51' ' ' HIS . 7.9 p80 -77.56 -34.66 53.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.069 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . 49.95 -175.29 0.05 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -82.12 151.83 26.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -1.173 . . . . 0.0 109.319 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.418 ' H ' HG22 ' B' ' 54' ' ' VAL . 3.4 m -95.58 135.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.089 -1.007 . . . . 0.0 109.167 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.335 -179.784 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.88 140.81 30.11 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.723 0.773 . . . . 0.0 110.867 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.0 m-20 -60.02 -38.42 82.63 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 -14.37 0.41 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASP . 66.7 mt -59.89 -39.38 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.509 -0.995 . . . . 0.0 108.951 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.02 -38.41 82.61 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -38.5 91.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.865 . . . . 0.0 108.878 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.85 71.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.07 -40.73 90.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.133 -0.979 . . . . 0.0 108.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -40.0 94.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.517 -0.739 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.24 0.06 57.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 110.331 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.98 -44.1 40.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.888 -1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.13 -38.11 82.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.289 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.4 -40.01 89.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.44 -14.14 44.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 109.245 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 59.04 -138.4 0.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.756 . . . . 0.0 110.292 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -80.77 -8.24 59.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.05 76.06 4.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.0 109.591 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.24 -25.14 63.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.469 -0.769 . . . . 0.0 109.39 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.29 -40.26 89.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.649 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.13 83.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.0 109.357 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.83 -40.0 94.48 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.263 -0.898 . . . . 0.0 109.511 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.31 93.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.979 -1.075 . . . . 0.0 109.72 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 73.6 m -64.41 -40.03 94.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.133 -0.979 . . . . 0.0 110.248 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.94 -40.01 75.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.014 . . . . 0.0 110.55 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -92.79 -0.74 57.21 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.923 -1.111 . . . . 0.0 109.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.3 m120 52.12 48.22 23.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.574 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -116.98 151.21 47.19 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.477 -0.764 . . . . 0.0 109.149 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.92 154.29 53.2 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.066 1.844 . . . . 0.0 112.182 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -43.07 -27.59 1.04 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.488 2.125 . . . . 0.0 113.361 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.95 -52.49 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.93 -1.106 . . . . 0.0 110.273 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.48 -40.11 63.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.751 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.47 69.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.158 -0.964 . . . . 0.0 109.713 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.013 . . . . 0.0 109.836 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.4 -40.01 92.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.356 -0.84 . . . . 0.0 110.488 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.59 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -67.52 -39.93 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.52 -20.74 48.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.874 -0.516 . . . . 0.0 109.96 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.1 m -96.59 -34.38 11.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.985 . . . . 0.0 109.555 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.39 132.4 53.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.148 -0.97 . . . . 0.0 108.907 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.216 -0.928 . . . . 0.0 111.465 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.992 -1.067 . . . . 0.0 110.587 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -84.3 2.09 41.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.857 -1.152 . . . . 0.0 109.91 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -76.66 -69.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.069 -1.019 . . . . 0.0 108.748 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.61 152.36 27.22 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -78.24 -11.57 59.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.962 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.41 49.69 6.6 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.824 -1.179 . . . . 0.0 110.402 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -153.94 75.21 1.02 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.332 . . . . 0.0 109.696 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.4 165.58 24.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.408 -0.807 . . . . 0.0 109.724 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 ttm 61.77 38.19 15.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.429 -0.795 . . . . 0.0 109.521 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -151.66 157.97 42.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.444 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.63 178.47 45.39 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -79.96 -70.07 0.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.249 . . . . 0.0 109.882 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.26 -28.59 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.293 -0.88 . . . . 0.0 109.392 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.502 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.6 mt -95.85 140.92 29.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.725 0.774 . . . . 0.0 110.897 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.8 m-20 -60.06 -38.54 83.11 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -14.47 0.39 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 3' ' ' ASP . 66.3 mt -60.04 -39.37 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.466 -1.02 . . . . 0.0 108.896 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.91 -38.45 82.36 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.08 -38.44 91.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 108.848 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.94 71.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -0.836 . . . . 0.0 109.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.01 -40.6 89.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.109 -0.995 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -39.96 94.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.458 -0.776 . . . . 0.0 110.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -90.18 -0.08 57.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.231 -0.918 . . . . 0.0 110.291 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -48.84 -44.21 39.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.998 -1.064 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.05 -38.22 82.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.418 -0.801 . . . . 0.0 109.24 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -60.39 -40.0 89.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.42 -13.98 44.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.151 -0.968 . . . . 0.0 109.314 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 58.97 -138.32 0.78 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.49 -0.756 . . . . 0.0 110.213 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -8.37 59.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.568 -0.707 . . . . 0.0 110.2 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 75.82 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.644 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -70.01 -25.08 63.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.805 . . . . 0.0 109.476 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.35 -40.32 90.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.883 . . . . 0.0 109.619 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.03 83.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.8 ttp -64.97 -39.97 94.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.168 -0.958 . . . . 0.0 109.496 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.42 94.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.055 . . . . 0.0 109.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 73.3 m -64.4 -39.93 94.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.978 . . . . 0.0 110.486 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -92.92 -0.59 57.19 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.946 -1.096 . . . . 0.0 109.35 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.3 m120 52.13 48.25 23.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.86 . . . . 0.0 110.581 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 mt -117.0 151.18 47.16 Favored Pre-proline 0 N--CA 1.501 2.097 0 O-C-N 121.433 -0.792 . . . . 0.0 109.093 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.92 154.32 53.17 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.072 1.848 . . . . 0.0 112.12 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.03 -27.48 0.98 Allowed 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.48 2.12 . . . . 0.0 113.376 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -52.8 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.921 -1.112 . . . . 0.0 110.225 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.19 -40.12 65.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.126 -0.984 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -51.43 69.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.27 -40.0 88.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 109.88 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.33 -40.05 92.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 0.0 110.47 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.0 -42.5 89.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 120.988 -1.07 . . . . 0.0 108.189 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.68 -39.95 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.45 -20.88 48.7 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.697 -0.627 . . . . 0.0 109.971 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.4 m -96.44 -34.55 11.47 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.097 -1.002 . . . . 0.0 109.618 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.18 132.51 54.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.12 -0.987 . . . . 0.0 108.909 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.439 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -69.97 -40.04 75.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.914 -1.116 . . . . 0.0 110.566 -178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.4 m -84.21 1.98 42.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.889 -1.132 . . . . 0.0 109.818 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -76.6 -69.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.043 -1.036 . . . . 0.0 108.982 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.56 152.31 27.3 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -78.2 -11.47 59.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.142 -0.974 . . . . 0.0 110.038 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.43 49.6 6.63 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.359 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -153.93 75.13 1.01 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.904 -1.351 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.16 165.79 24.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.408 -0.807 . . . . 0.0 109.653 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 35.7 ttm 61.54 38.24 15.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 109.488 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -151.67 158.03 42.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.282 -0.886 . . . . 0.0 109.461 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.67 178.52 45.43 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.02 -70.15 0.54 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -1.234 . . . . 0.0 109.824 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.23 -28.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.366 -0.834 . . . . 0.0 109.343 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.94 -1.028 . . . . 0.0 109.51 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.8 mt -97.25 142.39 29.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.804 0.812 . . . . 0.0 111.026 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 5' ' ' ILE . 87.4 m-20 -60.05 -39.91 87.6 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.9 -13.97 0.23 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.7 mt -60.2 -39.97 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.218 -1.166 . . . . 0.0 108.846 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.41 -39.86 88.91 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 63.6 tttp -61.92 -38.61 89.08 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -32.88 68.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 110.078 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.25 -40.04 88.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.099 -1.001 . . . . 0.0 110.136 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.32 -40.03 89.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.246 -0.909 . . . . 0.0 111.13 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 55.2 mp0 -93.2 -0.83 56.76 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.832 -1.167 . . . . 0.0 110.298 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.59 -37.65 41.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 109.944 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.07 -40.07 88.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.753 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.87 -27.71 65.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.998 -1.064 . . . . 0.0 110.216 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.61 -16.4 39.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.874 -1.141 . . . . 0.0 109.125 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 58.6 -139.56 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.509 -0.744 . . . . 0.0 109.982 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -85.02 -0.03 53.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.386 -0.821 . . . . 0.0 109.884 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.45 78.47 5.97 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.978 -1.076 . . . . 0.0 109.805 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.98 -25.15 63.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.213 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.22 -40.45 90.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.924 . . . . 0.0 110.075 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.51 70.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.08 -1.012 . . . . 0.0 109.728 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -60.85 -40.07 91.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.67 83.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.893 -1.129 . . . . 0.0 109.299 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -67.41 -38.02 83.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 0.0 110.202 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.29 -39.92 78.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.014 -1.054 . . . . 0.0 110.193 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -94.93 -0.55 53.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.262 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 m120 51.68 48.94 21.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.32 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.5 mt -116.3 150.65 45.71 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.316 -0.865 . . . . 0.0 109.387 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.35 156.98 60.6 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.219 1.946 . . . . 0.0 111.456 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.73 -24.87 2.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.356 2.037 . . . . 0.0 113.473 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -50.32 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.831 -1.168 . . . . 0.0 110.685 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.16 -40.1 29.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 O-C-N 120.741 -1.224 . . . . 0.0 110.507 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.04 67.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.915 -1.115 . . . . 0.0 109.467 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.449 -0.782 . . . . 0.0 109.644 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.42 -39.87 92.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.451 -0.781 . . . . 0.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.05 -39.96 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.24 -40.02 82.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.12 -22.58 62.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.7 -0.625 . . . . 0.0 109.91 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.9 m -95.2 -35.95 11.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.06 -1.025 . . . . 0.0 109.307 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 39.6 t -59.41 128.07 35.24 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -75.34 -33.91 61.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.236 -0.915 . . . . 0.0 110.97 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.09 -41.44 74.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.082 -1.011 . . . . 0.0 110.53 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -87.01 0.93 54.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.216 -0.928 . . . . 0.0 110.31 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.4 tp-100 -69.78 -59.32 3.02 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.009 -1.057 . . . . 0.0 109.573 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.43 124.17 32.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 0.0 109.577 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.0 mptp? -78.13 147.5 34.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.0 108.984 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.84 80.49 0.01 OUTLIER Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 50' ' ' MET . 98.3 mt-10 -149.2 -57.73 0.21 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.118 -1.225 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.48 -89.97 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.824 -0.548 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . 26.9 ttt -160.35 71.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.984 . . . . 0.0 110.131 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -84.24 -21.79 31.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.055 -1.028 . . . . 0.0 109.371 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.74 79.08 0.03 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -80.94 -8.56 59.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.217 -1.166 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.5 t -135.16 119.2 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.632 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.7 mt -97.27 142.34 29.28 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.0 110.963 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 5' ' ' ILE . 87.5 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -13.79 0.23 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.6 mt -60.27 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.282 -1.128 . . . . 0.0 108.812 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.27 -39.91 88.5 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 63.6 tttp -61.83 -38.84 89.67 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.8 -32.86 67.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 110.169 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.24 -40.16 89.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.032 -1.043 . . . . 0.0 110.149 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.39 -40.0 89.35 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.194 -0.941 . . . . 0.0 111.053 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 11' ' ' GLU . 56.2 mp0 -93.11 -0.9 56.9 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.931 -1.106 . . . . 0.0 110.375 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.53 -37.87 41.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.09 -1.006 . . . . 0.0 109.877 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.199 -0.938 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.85 -27.64 65.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.01 -1.056 . . . . 0.0 110.353 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.63 -16.35 39.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.827 -1.17 . . . . 0.0 109.154 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 58.66 -139.39 0.77 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.64 -0.663 . . . . 0.0 109.932 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -84.98 -0.03 52.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.84 . . . . 0.0 109.926 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.66 78.55 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.988 -1.07 . . . . 0.0 109.79 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.08 -25.08 63.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.398 -0.813 . . . . 0.0 109.136 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.38 -40.45 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.217 -0.927 . . . . 0.0 110.079 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.66 70.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.113 -0.992 . . . . 0.0 109.713 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -60.8 -40.06 91.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.04 84.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.01 -1.056 . . . . 0.0 109.265 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -67.22 -37.92 84.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.333 -0.854 . . . . 0.0 110.289 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.22 -40.14 78.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.158 -0.964 . . . . 0.0 110.126 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.05 -0.21 53.86 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 m120 51.39 49.02 21.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 110.387 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -116.5 150.78 46.11 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.364 -0.835 . . . . 0.0 109.286 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.44 156.97 60.46 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.182 1.921 . . . . 0.0 111.628 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.6 -25.07 2.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.439 2.093 . . . . 0.0 113.543 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.815 -1.178 . . . . 0.0 110.61 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -77.38 -40.19 28.74 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.885 -1.135 . . . . 0.0 110.508 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.86 67.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.883 -1.136 . . . . 0.0 109.602 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.05 -40.12 88.35 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.376 -0.827 . . . . 0.0 109.538 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.39 -39.98 92.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 110.54 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.01 -40.05 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.01 -22.89 63.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.76 -0.588 . . . . 0.0 109.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.3 m -94.9 -35.88 11.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.066 -1.021 . . . . 0.0 109.41 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.8 t -59.37 127.97 34.76 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -75.29 -33.84 61.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.192 -0.943 . . . . 0.0 110.935 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.13 -41.45 73.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.0 110.517 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.03 0.79 54.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.126 -0.984 . . . . 0.0 110.201 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -69.68 -59.63 2.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.979 -1.076 . . . . 0.0 109.505 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.04 124.46 32.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.492 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' B' ' 48' ' ' GLU . 5.0 mptp? -78.49 147.63 33.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.91 80.41 0.01 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' B' ' 50' ' ' MET . 98.3 mt-10 -149.04 -57.73 0.21 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.132 -1.217 . . . . 0.0 109.236 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 38.63 -89.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.179 0.514 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 48' ' ' GLU . 26.8 ttt -160.39 70.55 0.42 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.125 -0.984 . . . . 0.0 110.236 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.39 -21.88 32.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.07 -1.019 . . . . 0.0 109.48 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.66 78.92 0.02 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -80.77 -8.64 59.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.287 -1.125 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.18 119.17 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.621 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.52 142.23 31.28 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.837 0.827 . . . . 0.0 111.592 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.06 -38.29 82.39 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -12.37 0.17 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 42.5 mt -59.93 -38.16 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.437 -1.037 . . . . 0.0 109.061 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 52.8 t0 -59.93 -37.68 80.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 108.918 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.57 -36.73 84.63 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.85 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 109.665 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.89 -41.39 91.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.062 . . . . 0.0 109.546 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.81 -39.91 90.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.321 -0.862 . . . . 0.0 110.001 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.04 7.35 44.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.208 -0.933 . . . . 0.0 110.424 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -50.08 -47.43 53.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 108.997 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.73 -39.66 89.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.587 -0.696 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.149 -0.969 . . . . 0.0 109.881 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -85.68 -11.86 52.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 59.26 -134.37 0.89 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.541 -0.725 . . . . 0.0 110.525 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.2 0.92 54.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 0.0 110.39 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.27 78.02 6.98 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.935 -1.103 . . . . 0.0 109.194 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.93 -26.29 64.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.155 -0.965 . . . . 0.0 110.036 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.035 -1.04 . . . . 0.0 110.083 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.32 93.29 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 108.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.5 ttm -60.03 -45.24 93.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.829 . . . . 0.0 109.541 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.34 -43.95 92.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.271 -0.893 . . . . 0.0 109.505 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -63.66 -39.98 95.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 0.0 110.439 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.0 -40.51 75.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.166 -0.959 . . . . 0.0 110.909 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.67 0.02 52.18 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.043 -1.036 . . . . 0.0 109.333 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.6 m120 53.72 50.04 17.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.36 -0.837 . . . . 0.0 110.147 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.8 mt -120.13 152.67 54.79 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.69 150.83 45.68 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.01 1.807 . . . . 0.0 111.844 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -40.97 -23.88 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.439 2.093 . . . . 0.0 113.197 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.05 -50.44 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.954 -1.091 . . . . 0.0 110.281 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.93 -40.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.321 -0.862 . . . . 0.0 110.562 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.13 78.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.076 -1.015 . . . . 0.0 109.257 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.11 -39.94 91.86 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.298 -0.876 . . . . 0.0 110.109 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.33 -40.6 94.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.79 -40.76 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.09 -39.98 85.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.57 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -62.87 -18.0 62.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.815 -0.553 . . . . 0.0 110.277 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -94.1 -38.11 11.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.805 -1.184 . . . . 0.0 109.051 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.45 131.82 51.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.254 -0.904 . . . . 0.0 108.791 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -78.38 -33.01 49.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.976 . . . . 0.0 110.557 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -70.31 -40.1 74.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.979 -1.076 . . . . 0.0 110.407 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.9 m -86.25 -1.87 57.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.102 -0.999 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.5 tp-100 -69.66 -58.79 3.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.86 -1.15 . . . . 0.0 109.657 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.35 139.17 30.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.21 131.47 36.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.177 -0.952 . . . . 0.0 109.432 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.06 -140.07 6.16 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -82.17 144.56 30.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.382 -1.07 . . . . 0.0 109.02 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.38 -39.77 77.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 109.792 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.8 mmm -71.81 138.91 48.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.24 -0.912 . . . . 0.0 108.974 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.5 m80 53.41 41.22 32.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.93 136.76 50.99 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -81.05 131.74 35.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -1.123 . . . . 0.0 109.109 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.04 -77.8 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.152 -0.967 . . . . 0.0 108.994 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.163 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -99.46 142.24 31.19 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.813 0.816 . . . . 0.0 111.458 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.7 m-20 -60.11 -38.47 83.1 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.94 -12.36 0.15 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 43.0 mt -59.99 -38.21 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.438 -1.036 . . . . 0.0 109.029 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 52.4 t0 -59.84 -37.8 80.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 108.802 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -65.64 -36.49 83.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 109.439 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -33.82 72.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.609 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.99 -41.45 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.009 -1.057 . . . . 0.0 109.419 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.56 -40.09 90.33 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.245 -0.91 . . . . 0.0 110.086 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -92.94 7.57 43.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.175 -0.953 . . . . 0.0 110.441 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -50.27 -47.34 55.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.818 -1.176 . . . . 0.0 108.964 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.57 -40.04 90.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.588 -0.695 . . . . 0.0 110.233 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.16 -0.962 . . . . 0.0 110.049 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -85.79 -11.85 52.43 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 59.39 -134.41 0.88 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.745 . . . . 0.0 110.602 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -87.37 1.05 54.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.468 -0.77 . . . . 0.0 110.351 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.37 77.93 7.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.092 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -69.95 -26.09 63.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.148 -0.97 . . . . 0.0 110.222 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.96 -40.14 88.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.03 -1.044 . . . . 0.0 110.238 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.25 93.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 108.927 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 22.8 ttm -60.14 -45.55 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.508 -0.745 . . . . 0.0 109.532 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.99 -44.13 91.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.451 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -63.65 -39.98 95.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.0 110.492 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.04 -40.12 75.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.076 -1.015 . . . . 0.0 110.947 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.95 0.06 51.35 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.985 -1.072 . . . . 0.0 109.184 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 53.66 50.08 17.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.328 -0.857 . . . . 0.0 110.197 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 58.6 mt -120.15 152.73 54.93 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.538 -0.726 . . . . 0.0 109.041 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 150.83 45.5 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.061 1.841 . . . . 0.0 112.018 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.01 -23.82 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.399 2.066 . . . . 0.0 113.166 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.86 -50.59 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.861 -1.149 . . . . 0.0 110.412 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.91 -40.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.056 -1.027 . . . . 0.0 109.234 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.64 -40.05 90.54 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.53 -40.27 94.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 109.977 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.14 -40.32 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.41 -40.05 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -62.71 -19.16 63.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.824 -0.548 . . . . 0.0 110.213 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -93.07 -38.13 11.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.023 -1.048 . . . . 0.0 109.29 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -60.31 132.04 52.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.21 -0.931 . . . . 0.0 108.686 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -78.38 -33.02 49.15 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.229 -0.919 . . . . 0.0 110.609 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -70.41 -40.02 74.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 110.408 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m -86.32 -2.11 58.11 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.065 -1.022 . . . . 0.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.525 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 68.3 tp60 -69.25 -59.06 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.869 -1.144 . . . . 0.0 109.514 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -88.4 138.91 31.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -78.81 131.39 36.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.172 -0.955 . . . . 0.0 109.507 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.95 -140.02 6.04 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -82.01 144.38 30.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.45 -1.029 . . . . 0.0 109.146 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.99 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.071 -1.018 . . . . 0.0 109.778 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 91.8 mmm -71.63 139.53 49.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.076 -1.015 . . . . 0.0 108.899 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.8 m80 52.93 41.3 31.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 109.465 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.08 136.8 50.89 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -80.86 131.69 35.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -1.067 . . . . 0.0 109.192 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.96 -77.84 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 109.074 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.13 179.676 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -102.06 140.04 36.88 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.553 0.692 . . . . 0.0 110.803 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' ILE . 56.7 t0 -60.04 -40.0 87.86 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.05 -9.98 0.26 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' ASP . 30.4 mt -59.97 -32.27 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -1.116 . . . . 0.0 108.634 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 89.0 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.161 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.27 85.29 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.525 -0.734 . . . . 0.0 109.508 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -33.64 69.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.907 . . . . 0.0 109.857 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.1 -44.68 94.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.021 -1.049 . . . . 0.0 109.796 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' A' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.46 86.11 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.955 -1.091 . . . . 0.0 110.057 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -89.95 1.23 56.5 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 110.232 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -40.06 39.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.0 109.401 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.07 -39.63 86.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 0.0 109.438 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 68.6 mttm -63.23 -36.82 84.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 0.0 110.162 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -85.92 -19.38 30.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.924 -1.11 . . . . 0.0 109.556 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 31.3 m80 58.04 -134.5 1.07 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.401 -0.812 . . . . 0.0 109.778 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -84.51 -5.4 59.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.268 -0.895 . . . . 0.0 110.468 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -80.33 81.28 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.863 -1.148 . . . . 0.0 109.78 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -70.0 -23.8 63.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.17 -0.956 . . . . 0.0 109.154 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.4 -40.07 89.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 0.0 109.798 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.72 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 36' ' ' ILE . 35.3 ttm -60.72 -49.05 79.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 109.615 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.37 -38.39 71.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.158 -0.964 . . . . 0.0 110.194 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.08 -1.013 . . . . 0.0 110.843 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.56 -39.89 73.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.941 -1.1 . . . . 0.0 110.732 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.59 -4.55 47.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.104 -0.998 . . . . 0.0 109.441 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.8 m120 52.19 49.4 20.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 0.0 110.189 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 mt -116.74 161.27 33.02 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.452 -0.78 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -70.62 160.7 48.58 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.422 1.415 . . . . 0.0 110.924 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.42 -20.45 33.03 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.198 1.932 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -50.1 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.326 -0.859 . . . . 0.0 110.141 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.27 -44.81 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 111.147 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.66 80.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.847 -1.158 . . . . 0.0 109.96 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.06 -39.98 87.89 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.291 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.77 -40.16 96.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.416 -0.802 . . . . 0.0 110.5 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.7 mt -60.38 -41.57 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.28 -40.05 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.536 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.58 -22.09 63.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.457 -0.777 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 m -91.91 -38.38 12.33 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.928 -1.107 . . . . 0.0 109.406 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.4 t -59.55 127.71 33.38 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -78.43 -27.09 46.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.08 -40.64 64.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.956 -1.09 . . . . 0.0 110.104 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -86.2 -1.23 57.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.068 . . . . 0.0 109.905 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.9 tp-100 -70.09 -59.97 2.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.112 -0.992 . . . . 0.0 110.451 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -91.41 135.98 33.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.247 -0.908 . . . . 0.0 109.593 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -80.75 -9.96 59.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.515 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 163.21 33.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 86.6 tt0 -76.44 -39.97 51.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -1.1 . . . . 0.0 109.806 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 73.42 122.17 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.432 -0.792 . . . . 0.0 109.202 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.9 ttp -159.56 -48.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.111 -0.993 . . . . 0.0 109.829 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -85.52 126.47 33.88 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.173 -0.954 . . . . 0.0 109.242 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.91 57.89 0.01 OUTLIER Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.41 149.65 30.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.072 -1.251 . . . . 0.0 108.956 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 54' ' ' VAL . 3.7 m -97.62 134.21 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.295 -0.878 . . . . 0.0 109.462 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.49 -179.752 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 70.4 mt -102.08 140.04 36.89 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.571 -0.705 . . . . 0.0 110.798 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 56.7 t0 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.94 -10.16 0.26 Allowed Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 30.1 mt -59.91 -32.34 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -1.117 . . . . 0.0 108.634 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 89.1 m-20 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.184 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.03 -39.41 85.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.421 -0.799 . . . . 0.0 109.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.26 -33.75 69.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.837 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.03 -44.72 94.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.977 -1.077 . . . . 0.0 109.829 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' B' ' 6' ' ' ASP . 57.7 mp0 -62.5 -37.47 86.14 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.003 -1.061 . . . . 0.0 110.062 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -89.98 1.44 56.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.87 -40.07 41.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.026 -1.046 . . . . 0.0 109.46 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.419 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 68.7 mttm -63.08 -36.76 84.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.347 -0.845 . . . . 0.0 110.226 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -85.99 -19.4 30.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.881 -1.137 . . . . 0.0 109.559 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 31.4 m80 58.08 -134.44 1.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.731 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.6 m -84.57 -5.29 59.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.294 -0.879 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.35 81.18 6.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.143 . . . . 0.0 109.806 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -69.95 -23.85 63.26 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.168 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -40.07 89.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.848 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.53 94.98 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.245 -0.909 . . . . 0.0 108.949 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.504 ' SD ' HD12 ' B' ' 36' ' ' ILE . 35.3 ttm -60.75 -49.16 78.6 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.343 -0.848 . . . . 0.0 109.565 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -56.23 -38.45 71.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -0.961 . . . . 0.0 110.233 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -40.63 88.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.02 -1.05 . . . . 0.0 110.78 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.57 -39.93 73.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.982 -1.074 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -94.55 -4.53 47.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.105 -0.997 . . . . 0.0 109.472 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 52.11 49.35 20.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.87 . . . . 0.0 110.167 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 mt -116.68 161.31 32.72 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.433 -0.792 . . . . 0.0 109.098 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.6 160.62 48.85 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.389 1.392 . . . . 0.0 110.834 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.39 -20.51 33.02 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.147 1.898 . . . . 0.0 111.047 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.198 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.24 -44.48 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.966 -1.084 . . . . 0.0 111.144 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.65 80.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.79 -1.194 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.12 -39.87 87.77 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.341 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.96 -39.98 96.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.504 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.7 mt -60.43 -41.66 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.781 -1.2 . . . . 0.0 108.062 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.23 -40.07 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.3 63.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.579 -0.701 . . . . 0.0 109.986 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -91.68 -38.42 12.43 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.925 -1.11 . . . . 0.0 109.5 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.0 t -59.47 127.72 33.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 108.51 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -78.51 -26.95 46.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.972 -1.08 . . . . 0.0 110.373 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -73.17 -40.55 64.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.834 -1.166 . . . . 0.0 110.159 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.3 m -86.27 -1.33 57.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 109.921 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.99 -60.09 2.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.074 -1.016 . . . . 0.0 110.446 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -91.4 135.99 33.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -80.69 -9.92 59.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.122 -0.987 . . . . 0.0 109.584 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.87 163.24 33.44 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 86.6 tt0 -76.38 -40.09 51.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.365 -1.079 . . . . 0.0 109.839 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 73.58 121.95 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 109.18 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 47.9 ttp -159.35 -49.03 0.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.097 -1.002 . . . . 0.0 109.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -85.01 126.74 33.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.328 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.64 57.91 0.01 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.5 149.74 29.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.0 -1.294 . . . . 0.0 108.914 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.75 134.32 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.233 -0.917 . . . . 0.0 109.336 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.3 t0 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.463 -179.783 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -99.33 140.02 34.13 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.537 -0.727 . . . . 0.0 110.857 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.2 m-20 -60.14 -39.9 87.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.4 -12.35 0.18 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 49.6 mt -59.93 -35.56 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.272 -1.134 . . . . 0.0 108.642 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.9 -40.08 87.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.22 -39.13 93.75 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.26 79.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.01 -41.82 92.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 109.158 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.74 -39.95 93.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.414 -0.804 . . . . 0.0 110.03 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.96 1.88 56.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.317 -0.864 . . . . 0.0 110.611 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -50.66 -42.15 56.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.907 -1.121 . . . . 0.0 109.187 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.78 -38.67 86.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.346 -0.847 . . . . 0.0 109.603 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 50.4 tptt -59.93 -40.04 87.58 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.423 -0.798 . . . . 0.0 109.598 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.14 -14.52 43.87 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.993 -1.067 . . . . 0.0 109.761 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.7 0.95 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.252 -0.905 . . . . 0.0 110.229 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m -84.9 -2.46 57.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.476 -0.765 . . . . 0.0 110.005 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.82 72.39 6.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.69 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.88 -26.17 64.06 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.811 . . . . 0.0 108.984 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.49 -40.11 90.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.305 -0.872 . . . . 0.0 109.596 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.92 -44.88 79.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.627 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.87 -40.42 97.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.96 84.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.209 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 50.4 m -68.65 -35.26 77.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.458 -0.776 . . . . 0.0 110.223 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.16 -42.93 75.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.98 . . . . 0.0 109.458 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.68 -0.04 56.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.492 -0.755 . . . . 0.0 109.458 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 51.16 49.95 20.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.331 -0.855 . . . . 0.0 110.116 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -116.98 152.29 48.53 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.582 -0.699 . . . . 0.0 109.12 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.03 152.05 45.48 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.002 1.802 . . . . 0.0 112.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.4 -25.75 0.3 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.507 2.138 . . . . 0.0 113.524 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -50.18 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 0.0 110.398 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.31 -41.74 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.101 -0.999 . . . . 0.0 109.841 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.04 83.49 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.19 -0.944 . . . . 0.0 109.06 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -60.28 -40.12 89.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.083 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -64.26 -40.19 95.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.428 -0.795 . . . . 0.0 110.299 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.53 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.11 -40.07 82.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.58 -18.98 34.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.716 -0.615 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -92.22 -46.68 7.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 0.0 108.744 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -59.93 128.12 35.27 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.96 -26.15 40.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.001 -1.062 . . . . 0.0 110.447 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.38 -44.74 50.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.066 . . . . 0.0 110.11 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.28 -26.16 42.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.6 tt0 -74.85 -64.99 0.93 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.13 . . . . 0.0 109.517 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.33 121.44 28.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 108.942 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -82.95 103.34 12.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.13 -145.5 2.36 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -85.57 139.3 31.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -1.058 . . . . 0.0 108.914 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -82.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.141 -0.975 . . . . 0.0 109.731 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.9 ttt 54.88 11.29 0.46 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.144 -0.972 . . . . 0.0 109.275 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -153.08 164.19 38.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.701 -1.25 . . . . 0.0 109.272 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.61 67.41 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.9 136.6 33.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.183 -1.187 . . . . 0.0 109.183 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.84 133.73 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.516 -0.74 . . . . 0.0 109.616 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.4 t0 . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.297 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.46 140.02 34.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.547 -0.72 . . . . 0.0 110.867 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.1 m-20 -60.11 -39.88 87.74 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.39 -12.28 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' B' ' 3' ' ' ASP . 49.8 mt -59.91 -35.63 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.375 -1.074 . . . . 0.0 108.647 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -63.13 -39.24 94.1 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.3 79.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.589 -0.695 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.03 -41.68 92.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.104 -0.997 . . . . 0.0 109.139 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -40.06 93.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.421 -0.799 . . . . 0.0 110.077 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -90.87 1.86 56.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.563 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -50.66 -42.23 56.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 0.0 109.153 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.67 -38.58 85.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.291 -0.881 . . . . 0.0 109.706 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 50.4 tptt -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 109.518 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.09 -14.53 44.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.732 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' B' ' 14' ' ' LYS . 25.2 m-70 59.11 -133.62 0.95 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.128 -0.983 . . . . 0.0 110.244 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -84.94 -2.37 57.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.322 -0.861 . . . . 0.0 110.028 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -79.78 72.23 6.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.011 -1.055 . . . . 0.0 108.81 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.75 -26.17 64.17 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.384 -0.823 . . . . 0.0 109.021 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.58 -40.13 90.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.87 79.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 109.696 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.4 ttp -62.78 -40.47 97.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.636 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.01 84.88 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.919 -1.113 . . . . 0.0 109.166 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 50.0 m -68.55 -35.44 77.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.487 -0.758 . . . . 0.0 110.142 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -68.92 -43.02 76.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.66 -0.03 56.26 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 24' ' ' SER . 9.9 m120 51.2 49.95 20.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 38.6 mt -116.98 152.15 48.35 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.435 -0.79 . . . . 0.0 109.104 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.95 152.1 45.96 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.01 1.807 . . . . 0.0 111.949 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.52 -25.79 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.604 2.203 . . . . 0.0 113.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -50.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.902 -1.124 . . . . 0.0 110.42 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.16 -41.59 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.125 -0.984 . . . . 0.0 109.972 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.94 83.97 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -60.51 -39.93 89.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.341 -0.849 . . . . 0.0 109.043 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -40.14 95.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.255 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.68 -40.06 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.28 -40.05 81.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -19.0 34.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.746 -0.596 . . . . 0.0 109.699 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -92.16 -46.78 7.58 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.188 -0.945 . . . . 0.0 108.71 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.03 128.13 35.31 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.01 -26.08 39.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.026 -1.046 . . . . 0.0 110.4 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -74.31 -44.77 51.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.969 -1.082 . . . . 0.0 110.094 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.29 -26.16 42.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 110.368 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -74.8 -65.28 0.89 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.915 -1.116 . . . . 0.0 109.514 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.2 mt -86.1 121.46 28.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 108.871 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -82.92 103.19 12.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.327 -0.858 . . . . 0.0 109.735 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.28 -145.47 2.52 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -85.61 139.37 31.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -1.083 . . . . 0.0 108.892 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' B' ' 51' ' ' HIS . . . -68.92 -82.38 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.03 . . . . 0.0 109.696 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 17.9 ttt 54.59 11.35 0.43 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' B' ' 49' ' ' ALA . 4.6 t-160 -152.99 164.24 38.34 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.692 -1.255 . . . . 0.0 109.372 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.6 67.37 0.06 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.992 -1.299 . . . . 0.0 109.161 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 54' ' ' VAL . 34.7 m -106.83 133.57 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.413 -0.804 . . . . 0.0 109.608 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.317 179.732 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.0 139.62 34.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.378 -0.826 . . . . 0.0 110.779 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 27.0 p-10 -60.54 -40.07 90.23 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -48.98 -10.65 0.14 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 35.2 mt -59.93 -32.12 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.23 -1.159 . . . . 0.0 108.516 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.92 -39.92 87.09 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.45 -39.03 93.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 109.222 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.68 69.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.05 -40.6 89.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.941 -1.099 . . . . 0.0 109.008 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.3 -39.3 86.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.543 -0.723 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.96 0.97 56.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.207 -0.933 . . . . 0.0 110.128 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -50.58 -47.42 57.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.133 -0.979 . . . . 0.0 109.089 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 43.3 mp0 -60.37 -39.23 86.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.0 108.9 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.1 tttt -61.22 -39.81 91.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.205 -0.935 . . . . 0.0 109.017 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.88 -15.68 43.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.928 . . . . 0.0 109.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 30.8 m80 58.07 -136.02 0.98 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.419 -0.8 . . . . 0.0 109.902 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -84.61 -2.29 57.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.802 . . . . 0.0 110.017 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.36 80.2 6.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.077 -1.015 . . . . 0.0 109.639 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.47 -23.51 62.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.945 . . . . 0.0 109.842 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.61 -41.74 95.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.149 -0.969 . . . . 0.0 110.268 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.16 90.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.363 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.9 ttm -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.297 -0.877 . . . . 0.0 109.287 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.52 -40.62 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 110.056 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -67.28 -39.64 86.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -69.7 -40.86 76.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.143 -0.973 . . . . 0.0 110.661 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -98.44 1.28 46.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.336 -0.852 . . . . 0.0 109.337 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.1 m120 52.39 47.88 23.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 110.153 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 19.5 mt -114.36 154.41 46.43 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.45 -0.781 . . . . 0.0 109.218 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.39 159.95 48.07 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.102 1.868 . . . . 0.0 111.31 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.53 -24.8 23.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 112.356 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.79 -50.24 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.1 -1.0 . . . . 0.0 110.448 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.67 -43.42 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 111.127 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.17 74.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.849 -1.157 . . . . 0.0 109.713 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.22 -39.96 88.5 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.404 -0.81 . . . . 0.0 109.129 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.01 -40.05 94.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.568 -0.708 . . . . 0.0 110.032 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.7 mt -60.13 -41.9 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.84 -1.162 . . . . 0.0 108.279 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.98 -40.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.42 -21.17 63.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.69 -0.631 . . . . 0.0 109.954 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -88.64 -45.18 10.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.236 -0.915 . . . . 0.0 109.528 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.1 t -58.72 126.18 26.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.155 -0.965 . . . . 0.0 108.617 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -77.33 -24.59 50.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.054 -1.029 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -72.46 -40.13 67.23 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.695 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.17 1.53 52.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.056 -1.028 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.6 tp-100 -77.63 -70.18 0.49 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -0.984 . . . . 0.0 108.725 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.67 145.28 26.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 109.093 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -79.47 128.96 34.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.156 -0.965 . . . . 0.0 108.679 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.48 -152.03 2.65 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.68 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.7 mt-10 -87.28 19.25 3.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.232 -1.158 . . . . 0.0 109.488 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 84.76 -147.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.798 -0.564 . . . . 0.0 109.569 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.3 mmt -76.69 127.66 33.19 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.851 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -89.95 1.98 55.63 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.412 -0.805 . . . . 0.0 109.596 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.89 13.65 1.19 Allowed Glycine 0 N--CA 1.499 2.877 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.525 HE21 ' C ' ' A' ' 55' ' ' ASP . 61.8 tt0 -80.01 133.64 36.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -1.176 . . . . 0.0 109.033 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 54' ' ' VAL . 47.0 t -96.87 -11.15 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.525 ' C ' HE21 ' A' ' 53' ' ' GLN . 37.7 p-10 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.0 -1.063 . . . . 0.0 109.531 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.0 mt -98.95 139.94 33.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -0.879 . . . . 0.0 110.789 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 26.1 p-10 -60.9 -39.82 90.74 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -49.12 -10.84 0.17 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 35.2 mt -59.85 -31.77 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -1.094 . . . . 0.0 108.78 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.32 -39.81 88.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -64.34 -39.49 93.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.489 -0.757 . . . . 0.0 109.154 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.35 -33.21 69.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 109.566 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.92 -40.17 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.101 -1.0 . . . . 0.0 109.058 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.79 -39.1 87.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.293 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -89.97 0.66 56.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.151 -0.968 . . . . 0.0 109.96 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -50.4 -47.33 56.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.131 -0.981 . . . . 0.0 109.278 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 13' ' ' GLU . 45.8 mp0 -60.3 -39.29 86.43 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.27 -0.894 . . . . 0.0 109.163 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.2 tttt -61.22 -39.63 90.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 0.0 109.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -85.12 -16.07 41.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.309 -0.869 . . . . 0.0 108.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 32.8 m80 58.36 -135.93 0.94 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.564 -0.71 . . . . 0.0 109.861 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -84.45 -2.43 57.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.064 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.24 80.24 6.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 109.71 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -70.73 -23.22 62.4 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.077 -1.014 . . . . 0.0 109.713 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.77 -41.78 96.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.898 . . . . 0.0 110.156 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.17 90.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.454 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.8 ttm -60.76 -44.37 96.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.244 -0.91 . . . . 0.0 109.311 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -59.84 -40.3 88.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.29 -0.881 . . . . 0.0 109.872 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -67.42 -39.7 85.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.234 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.01 -40.75 75.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 110.515 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.2 1.41 47.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.6 m120 52.59 47.47 24.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 110.106 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 19.5 mt -114.0 154.25 46.07 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.425 -0.797 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.86 159.95 49.16 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.058 1.839 . . . . 0.0 111.25 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.76 -24.49 23.67 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.529 2.153 . . . . 0.0 112.261 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -50.24 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.067 -1.02 . . . . 0.0 110.392 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.55 -43.54 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.982 -1.074 . . . . 0.0 111.113 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.12 74.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.108 . . . . 0.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.21 -40.02 88.64 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.434 -0.792 . . . . 0.0 109.101 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.08 -40.04 94.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.84 . . . . 0.0 110.0 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.454 HD12 ' SD ' ' B' ' 22' ' ' MET . 85.0 mt -60.17 -42.31 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.924 -1.11 . . . . 0.0 108.297 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -21.68 64.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.546 -0.721 . . . . 0.0 109.973 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -88.41 -44.77 10.51 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.306 -0.871 . . . . 0.0 109.595 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.13 126.34 27.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.937 -1.102 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -77.33 -24.47 50.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.946 -1.096 . . . . 0.0 109.871 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -72.52 -39.91 67.22 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.069 -1.019 . . . . 0.0 109.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.61 1.6 53.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 109.648 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.548 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 53.9 tp60 -77.58 -70.28 0.48 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.028 -1.045 . . . . 0.0 108.523 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.95 145.95 25.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -79.79 129.15 34.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.024 -1.048 . . . . 0.0 108.626 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.27 -152.33 2.37 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 98.8 mt-10 -87.12 19.66 3.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.291 -1.123 . . . . 0.0 109.393 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 84.39 -147.59 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.824 -0.547 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 16.3 mmt -76.46 128.26 34.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.171 -0.955 . . . . 0.0 109.348 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -89.85 1.55 56.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.52 -0.738 . . . . 0.0 109.588 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.25 13.62 1.14 Allowed Glycine 0 N--CA 1.499 2.859 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.537 HE21 ' C ' ' B' ' 55' ' ' ASP . 62.0 tt0 -79.83 133.48 36.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -1.159 . . . . 0.0 109.025 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 54' ' ' VAL . 47.2 t -96.97 -11.15 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.133 -0.98 . . . . 0.0 109.736 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.537 ' C ' HE21 ' B' ' 53' ' ' GLN . 36.6 p-10 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.098 -1.001 . . . . 0.0 109.511 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.506 0.67 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.4 mt -99.21 142.47 30.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.466 -0.771 . . . . 0.0 110.25 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 86.0 m-20 -60.04 -39.5 86.15 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.36 -15.56 0.25 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.964 -1.655 . . . . 0.0 108.964 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 69.4 mt -60.48 -40.04 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.318 -1.107 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.31 -39.95 94.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.782 . . . . 0.0 108.944 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.92 -35.48 78.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.796 . . . . 0.0 109.046 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB1' ' SD ' ' A' ' 22' ' ' MET . . . -59.79 -36.2 76.24 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 0.0 109.217 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.08 -42.96 95.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.038 -1.039 . . . . 0.0 109.062 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.56 -39.96 93.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.449 -0.782 . . . . 0.0 110.071 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -92.34 1.09 57.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.273 -0.892 . . . . 0.0 110.647 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -49.35 -44.53 44.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.907 -1.121 . . . . 0.0 109.361 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.354 -0.841 . . . . 0.0 109.486 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 80.3 tttt -62.57 -38.41 89.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 110.63 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.5 -10.99 57.98 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.839 -1.163 . . . . 0.0 110.034 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 25.1 m80 59.01 -137.19 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 109.717 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -87.63 1.43 53.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.872 . . . . 0.0 110.085 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 76.11 9.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.16 -25.9 63.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.807 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.07 -40.77 90.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.692 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.79 82.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 109.017 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.4 ' SD ' ' HB1' ' A' ' 8' ' ' ALA . 59.2 ttp -62.27 -41.77 98.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.378 -0.826 . . . . 0.0 109.771 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.49 -39.81 81.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.98 . . . . 0.0 109.122 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.81 -38.66 86.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.435 -0.791 . . . . 0.0 110.036 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.98 -39.93 75.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.11 -0.02 50.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.102 -0.999 . . . . 0.0 108.922 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.4 m120 53.58 47.42 23.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.398 -0.814 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' PRO . 45.2 mt -119.58 121.98 29.58 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.519 -0.738 . . . . 0.0 109.867 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 28' ' ' LEU . 71.4 Cg_exo -47.37 178.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.322 1.348 . . . . 0.0 111.485 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -64.93 -21.56 63.82 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.346 2.03 . . . . 0.0 113.339 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.46 -60.53 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.854 -1.154 . . . . 0.0 110.424 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.21 -40.66 78.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.581 -0.699 . . . . 0.0 110.54 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.76 84.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.968 -1.083 . . . . 0.0 109.378 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.0 109.482 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.03 -40.4 95.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 0.0 110.491 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.52 -40.72 85.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.99 -40.1 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.83 -18.66 60.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.749 -0.594 . . . . 0.0 110.362 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -94.26 -37.78 11.35 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.858 -1.151 . . . . 0.0 110.054 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.02 134.55 57.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.041 -1.037 . . . . 0.0 108.848 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.49 -32.7 48.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.8 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -71.24 -41.13 70.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.018 -1.051 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -84.99 5.66 28.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.023 -1.048 . . . . 0.0 109.7 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.5 tp-100 -77.42 -70.11 0.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.162 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -83.59 145.92 28.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 108.757 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.24 115.24 20.54 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.056 -1.028 . . . . 0.0 110.213 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.14 -135.86 11.38 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.6 158.58 25.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -1.062 . . . . 0.0 109.079 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' MET . . . -68.84 -106.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.172 -0.955 . . . . 0.0 109.8 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' ALA . 11.0 ptt? 39.52 49.92 2.04 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.581 -0.699 . . . . 0.0 110.471 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -80.12 -14.15 58.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.063 -1.023 . . . . 0.0 109.39 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.46 162.18 2.19 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -150.49 -20.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.277 -1.131 . . . . 0.0 109.581 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.42 141.83 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.267 -0.896 . . . . 0.0 109.981 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.22 -179.772 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.535 0.683 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.3 mt -99.64 142.44 31.12 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.636 -0.665 . . . . 0.0 110.284 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' B' ' 5' ' ' ILE . 86.3 m-20 -59.93 -39.63 86.17 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.13 -16.06 0.23 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 3' ' ' ASP . 68.9 mt -60.12 -40.03 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.447 -1.031 . . . . 0.0 108.318 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.44 -39.91 94.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.448 -0.783 . . . . 0.0 109.022 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.68 -35.77 79.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.187 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' SD ' ' B' ' 22' ' ' MET . . . -59.71 -36.1 75.86 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.421 -0.8 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.91 -42.99 95.09 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.0 93.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.441 -0.787 . . . . 0.0 110.125 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.34 1.07 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.231 -0.918 . . . . 0.0 110.561 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -49.14 -44.81 42.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.153 . . . . 0.0 109.402 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.03 -39.08 84.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.371 -0.831 . . . . 0.0 109.496 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.428 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 80.3 tttt -62.55 -38.53 90.41 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.504 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -83.33 -11.21 57.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.851 -1.156 . . . . 0.0 110.032 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 24.5 m80 59.1 -137.55 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 0.0 109.659 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 25.9 m -87.31 1.24 53.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.457 -0.777 . . . . 0.0 110.151 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.4 75.92 9.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.05 -25.92 63.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.132 -0.98 . . . . 0.0 109.841 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.88 . . . . 0.0 109.725 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.59 82.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.298 -0.876 . . . . 0.0 108.971 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.405 ' SD ' ' HB1' ' B' ' 8' ' ' ALA . 59.3 ttp -62.38 -41.69 98.84 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.461 -0.774 . . . . 0.0 109.786 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.46 -40.01 81.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.168 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -66.5 -39.05 88.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 0.0 110.073 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -69.68 -40.1 76.59 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.085 -1.009 . . . . 0.0 110.282 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -96.01 0.05 51.18 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 108.969 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.3 m120 53.49 47.75 23.33 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 29' ' ' PRO . 45.0 mt -119.98 121.91 29.33 Favored Pre-proline 0 N--CA 1.5 2.063 0 O-C-N 121.509 -0.744 . . . . 0.0 109.695 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' B' ' 28' ' ' LEU . 72.0 Cg_exo -47.36 178.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.501 1.467 . . . . 0.0 111.438 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.96 -21.5 63.76 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.308 2.005 . . . . 0.0 113.421 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.46 -60.78 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.0 -40.49 78.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.57 -0.706 . . . . 0.0 110.638 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.72 84.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 109.456 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.18 -39.96 88.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.207 -0.933 . . . . 0.0 109.354 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -62.04 -40.27 95.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.38 -0.825 . . . . 0.0 110.416 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.57 -40.84 85.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.911 -1.118 . . . . 0.0 108.039 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.86 -40.08 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.83 -18.59 60.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.694 -0.629 . . . . 0.0 110.468 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.1 m -94.23 -37.92 11.3 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.866 -1.146 . . . . 0.0 110.061 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.79 134.73 57.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.108 -0.995 . . . . 0.0 108.81 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.7 -32.82 47.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.24 -40.78 70.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.937 -1.102 . . . . 0.0 110.1 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.29 5.57 29.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.766 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -77.32 -69.94 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.191 -0.943 . . . . 0.0 109.168 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.82 145.99 28.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 108.704 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.28 115.28 20.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.021 -1.049 . . . . 0.0 110.13 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.09 -136.09 10.94 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -80.27 158.71 26.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.493 -1.004 . . . . 0.0 109.051 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 50' ' ' MET . . . -69.09 -106.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.072 -1.018 . . . . 0.0 109.679 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.4 ' C ' ' O ' ' B' ' 49' ' ' ALA . 11.0 ptt? 39.98 49.45 2.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -79.87 -14.16 58.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.031 -1.043 . . . . 0.0 109.478 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.54 162.29 2.21 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -150.36 -20.52 0.24 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.354 -1.086 . . . . 0.0 109.568 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.23 142.06 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.216 -0.928 . . . . 0.0 110.024 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.298 -179.709 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.44 32.14 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.946 0.879 . . . . 0.0 111.308 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.2 m-20 -59.99 -35.93 76.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 -10.96 0.25 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ASP . 32.1 mt -60.0 -40.01 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.481 -1.011 . . . . 0.0 108.983 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.01 -39.66 86.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.63 -39.23 90.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.346 -0.846 . . . . 0.0 109.283 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.18 73.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 0.0 109.916 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.93 -40.08 87.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.84 -40.11 91.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.275 -0.891 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.87 8.94 44.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.269 -0.894 . . . . 0.0 110.862 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.09 -44.34 51.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.701 -1.249 . . . . 0.0 108.934 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.09 -38.98 84.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -0.813 . . . . 0.0 109.617 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.344 -0.848 . . . . 0.0 110.263 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.92 -18.92 31.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.125 . . . . 0.0 109.602 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 m80 57.06 -125.34 1.82 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.009 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -86.24 -5.72 59.13 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.205 -0.934 . . . . 0.0 110.575 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -77.92 69.43 4.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.827 -1.171 . . . . 0.0 109.288 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -69.95 -20.13 63.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.12 -0.987 . . . . 0.0 108.578 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.46 -39.96 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 109.116 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.87 90.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.416 -0.803 . . . . 0.0 108.956 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 36' ' ' ILE . 30.7 ttm -59.97 -48.51 81.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 21.1 t -66.16 -37.95 86.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 110.084 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -70.01 -39.96 75.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.466 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.08 -0.02 42.69 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ALA . 9.1 m120 53.19 48.88 21.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 33.4 mt -118.53 151.52 49.84 Favored Pre-proline 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 109.228 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.1 154.64 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.108 1.872 . . . . 0.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -41.13 -24.3 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.777 2.318 . . . . 0.0 113.971 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -50.01 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.884 -1.135 . . . . 0.0 110.597 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.2 -41.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.11 -0.993 . . . . 0.0 111.247 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.47 75.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.792 -1.193 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.04 -39.94 87.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.56 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.03 -40.06 88.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.085 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -60.82 -43.91 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.937 -1.102 . . . . 0.0 108.75 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.29 -38.08 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.22 -24.87 65.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.64 -0.662 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.87 -30.04 16.38 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.658 -1.276 . . . . 0.0 110.219 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.41 134.99 57.51 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.973 -1.079 . . . . 0.0 108.498 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.05 -27.05 48.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -74.24 -40.04 62.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.1 -1.0 . . . . 0.0 109.912 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.28 -1.27 56.77 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.111 -0.993 . . . . 0.0 110.342 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 9.7 tp-100 -68.53 -54.71 15.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.958 -1.089 . . . . 0.0 109.667 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.43 141.68 28.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.327 -0.858 . . . . 0.0 109.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -81.85 127.92 33.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 0.0 109.314 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.15 -161.16 0.49 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -84.11 141.48 31.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -1.113 . . . . 0.0 109.127 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.84 -177.85 1.72 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.099 -1.0 . . . . 0.0 109.072 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.581 ' SD ' ' SD ' ' B' ' 50' ' ' MET . 4.3 mmt 59.74 16.9 5.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.695 -0.628 . . . . 0.0 109.358 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -87.4 -23.78 24.42 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.094 -1.004 . . . . 0.0 109.708 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.36 161.56 39.24 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -158.32 121.82 3.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.453 -1.027 . . . . 0.0 109.261 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.9 t -98.79 136.35 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.171 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.332 179.636 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.67 142.52 32.02 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.905 0.86 . . . . 0.0 111.277 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -59.97 -36.14 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.35 -11.1 0.23 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' B' ' 3' ' ' ASP . 32.1 mt -59.94 -40.03 81.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.587 -0.949 . . . . 0.0 108.95 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.98 -39.8 86.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.395 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.5 -39.24 90.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.407 -0.808 . . . . 0.0 109.246 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.05 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.0 109.882 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.04 -40.08 88.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.965 -1.085 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.86 -40.06 91.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 0.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -98.86 8.94 44.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.323 -0.861 . . . . 0.0 110.844 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 t -50.29 -44.23 53.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.778 -1.201 . . . . 0.0 108.986 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.497 -0.752 . . . . 0.0 109.729 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 110.216 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -85.77 -19.02 31.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.869 -1.144 . . . . 0.0 109.615 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.8 m80 57.15 -125.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.79 . . . . 0.0 110.009 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -86.42 -5.84 59.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.238 -0.914 . . . . 0.0 110.483 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -77.76 69.42 4.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.298 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -69.91 -20.21 63.37 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.257 -0.902 . . . . 0.0 108.574 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -60.48 -40.0 89.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.101 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.86 91.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 108.898 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.539 ' SD ' HD12 ' B' ' 36' ' ' ILE . 30.6 ttm -60.06 -48.62 80.97 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.367 -0.833 . . . . 0.0 109.404 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.57 -40.04 86.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.858 . . . . 0.0 109.491 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.413 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 21.4 t -66.38 -37.81 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -69.98 -40.09 75.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.376 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.03 0.07 43.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.28 -0.888 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.1 m120 53.13 48.86 21.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 110.285 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.4 mt -118.59 151.45 49.82 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 121.339 -0.851 . . . . 0.0 109.264 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.1 154.61 57.37 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.163 1.909 . . . . 0.0 112.015 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.97 -24.54 0.17 Allowed 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.799 2.333 . . . . 0.0 113.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -49.86 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.871 -1.143 . . . . 0.0 110.505 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.08 -41.28 45.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.048 -1.033 . . . . 0.0 111.274 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.47 75.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.882 -1.136 . . . . 0.0 109.974 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -59.97 -39.96 87.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.585 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.06 -40.25 88.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -0.873 . . . . 0.0 109.949 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.5 mt -60.79 -43.73 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.979 -1.076 . . . . 0.0 108.781 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.32 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.72 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.704 -0.622 . . . . 0.0 111.039 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.89 -29.86 16.47 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.679 -1.263 . . . . 0.0 110.281 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.61 134.92 57.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 108.436 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.99 -27.01 48.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.015 -1.053 . . . . 0.0 109.965 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -74.22 -39.98 62.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.975 . . . . 0.0 109.898 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -85.23 -1.46 56.95 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.131 -0.98 . . . . 0.0 110.381 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.41 -54.61 16.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.964 -1.085 . . . . 0.0 109.689 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.43 141.52 28.57 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -81.83 127.81 33.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.394 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.38 -161.3 0.53 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.15 141.57 30.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.276 -1.132 . . . . 0.0 109.066 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.72 1.68 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.083 -1.01 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.581 ' SD ' ' SD ' ' A' ' 50' ' ' MET . 4.4 mmt 59.56 16.86 5.64 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -87.13 -23.94 24.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.082 -1.012 . . . . 0.0 109.624 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.31 161.62 39.39 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -158.51 121.55 3.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.486 -1.008 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.47 136.18 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.35 -0.844 . . . . 0.0 110.231 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.309 179.538 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 71.0 mt -114.71 142.7 46.15 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 121.65 0.738 . . . . 0.0 110.469 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' ILE . 89.1 m-20 -60.04 -39.13 84.89 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -13.16 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' ASP . 54.6 mt -60.14 -36.42 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.348 -1.089 . . . . 0.0 108.53 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -60.03 -40.04 87.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.97 -39.86 95.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.72 77.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.478 -0.763 . . . . 0.0 109.939 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.97 -41.1 91.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.08 . . . . 0.0 108.75 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -36.94 85.35 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.443 -0.786 . . . . 0.0 109.973 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.89 1.27 57.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.161 -0.962 . . . . 0.0 110.723 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.41 -45.97 36.76 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.823 -1.173 . . . . 0.0 109.46 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.27 -40.03 88.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 109.737 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 88.5 tttt -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -0.976 . . . . 0.0 109.843 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -83.83 -10.22 58.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.985 -1.072 . . . . 0.0 109.229 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.8 m80 59.32 -140.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.14 -1.21 54.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.199 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.99 74.51 6.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 0.0 108.93 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -69.99 -25.35 63.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.301 -0.874 . . . . 0.0 109.778 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.71 -40.5 92.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.424 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.41 84.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.95 -46.17 91.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.376 -0.827 . . . . 0.0 109.375 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.27 -40.81 82.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.008 -1.058 . . . . 0.0 109.508 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -64.5 -38.82 92.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.865 . . . . 0.0 110.101 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.29 -39.95 78.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.46 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.01 0.04 51.15 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.2 -0.937 . . . . 0.0 109.091 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.3 m120 51.63 47.84 24.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.34 -0.85 . . . . 0.0 110.393 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.3 153.15 44.17 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' VAL . 66.3 Cg_endo -73.34 147.28 41.49 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.039 1.826 . . . . 0.0 111.734 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -40.49 -24.38 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.307 2.005 . . . . 0.0 112.951 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -59.99 -49.98 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.11 -0.994 . . . . 0.0 109.816 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.32 -41.44 50.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.77 68.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -0.965 . . . . 0.0 109.501 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.14 -39.96 88.15 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.146 -0.971 . . . . 0.0 109.16 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.58 96.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.827 . . . . 0.0 110.043 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.54 -40.58 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.01 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -58.77 -20.43 49.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.692 -0.63 . . . . 0.0 109.846 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.9 m -87.99 -44.36 11.06 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 109.228 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.1 129.88 44.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.244 -0.91 . . . . 0.0 108.666 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -77.76 -24.69 48.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.118 -0.989 . . . . 0.0 110.005 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -77.92 -48.7 15.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.14 -0.975 . . . . 0.0 111.111 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.9 m -77.97 -29.76 49.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.054 -1.029 . . . . 0.0 110.81 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.0 tt0 -69.91 -55.34 9.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.845 -1.159 . . . . 0.0 109.668 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -87.15 123.39 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.162 -0.962 . . . . 0.0 108.984 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -75.05 139.71 43.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.007 -1.058 . . . . 0.0 109.159 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.83 77.55 0.66 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ALA . 10.0 pt-20 -155.1 -48.83 0.08 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.257 -1.143 . . . . 0.0 109.609 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.29 -129.34 0.22 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.602 -0.686 . . . . 0.0 110.324 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.0 174.31 9.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -0.79 . . . . 0.0 109.326 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -74.37 -30.39 61.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.247 -0.908 . . . . 0.0 108.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' GLN . . . 68.36 139.61 0.08 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 52' ' ' GLY . 55.7 tt0 52.6 103.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -1.073 . . . . 0.0 109.824 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 54' ' ' VAL . 11.3 p -90.6 124.86 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.108 -0.995 . . . . 0.0 108.909 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 t0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.654 -179.341 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.436 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 69.9 mt -114.76 142.7 46.18 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.617 0.722 . . . . 0.0 110.509 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' B' ' 5' ' ' ILE . 89.2 m-20 -60.03 -39.09 84.7 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.67 -13.27 0.27 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 3' ' ' ASP . 55.2 mt -60.04 -36.38 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.336 -1.097 . . . . 0.0 108.568 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -63.23 -39.66 95.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.54 77.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.386 -0.822 . . . . 0.0 109.909 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.16 -40.97 91.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.917 -1.114 . . . . 0.0 108.796 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.85 85.11 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.906 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -92.99 1.47 57.29 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.239 -0.913 . . . . 0.0 110.694 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 t -48.49 -46.08 37.76 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 109.497 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.413 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 88.5 tttt -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.082 -1.011 . . . . 0.0 109.884 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -83.98 -10.07 58.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.994 -1.066 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.9 m80 59.35 -140.23 0.69 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.595 -0.69 . . . . 0.0 110.093 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -84.24 -1.25 54.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.0 74.43 6.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 108.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.04 -25.37 63.52 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.377 -0.827 . . . . 0.0 109.728 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.59 -40.44 91.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.495 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.31 84.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.01 -46.07 92.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.463 -0.773 . . . . 0.0 109.364 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.43 -40.66 83.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.051 -1.031 . . . . 0.0 109.435 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -64.57 -38.98 92.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.052 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.13 -40.03 78.52 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.0 110.451 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.95 0.05 51.36 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.111 -0.993 . . . . 0.0 109.15 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.3 m120 51.43 47.86 24.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.44 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -111.33 153.23 44.16 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' B' ' 31' ' ' VAL . 66.1 Cg_endo -73.35 147.28 41.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.145 1.897 . . . . 0.0 111.802 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -40.58 -24.24 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.386 2.057 . . . . 0.0 112.876 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.2 t -59.94 -50.05 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.09 -1.006 . . . . 0.0 109.84 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.41 -41.36 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.76 68.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 109.51 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -60.12 -39.88 87.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.09 -41.7 97.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.521 -0.737 . . . . 0.0 109.893 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.56 -40.53 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.13 -40.03 85.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -20.44 48.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.66 -0.65 . . . . 0.0 109.86 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -87.91 -44.7 10.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 109.187 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.7 t -58.81 129.95 44.61 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 108.672 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -77.92 -24.7 48.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.064 -1.022 . . . . 0.0 109.971 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -77.9 -48.58 16.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.135 -0.978 . . . . 0.0 111.18 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.8 m -78.09 -29.81 49.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.007 -1.058 . . . . 0.0 110.837 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -69.69 -55.67 9.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.958 -1.089 . . . . 0.0 109.78 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.88 123.21 31.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.0 108.956 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.94 139.54 43.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 109.206 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.64 77.45 0.63 Allowed Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 49' ' ' ALA . 9.9 pt-20 -155.04 -48.66 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.123 -1.222 . . . . 0.0 109.682 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 38.17 -129.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.592 -0.692 . . . . 0.0 110.269 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.94 173.19 11.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.32 -0.862 . . . . 0.0 109.363 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -73.26 -30.43 63.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.27 -0.894 . . . . 0.0 109.068 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLN . . . 68.37 139.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 52' ' ' GLY . 55.7 tt0 52.55 103.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.443 -1.034 . . . . 0.0 109.798 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.509 ' O ' HG13 ' B' ' 54' ' ' VAL . 11.3 p -90.48 124.66 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.074 -1.016 . . . . 0.0 108.901 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.4 t0 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.537 -179.417 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.32 144.13 26.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.587 0.708 . . . . 0.0 110.6 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.1 87.88 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.68 -14.68 0.41 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 3' ' ' ASP . 67.9 mt -59.98 -43.17 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.24 -1.153 . . . . 0.0 108.488 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.8 -40.07 96.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.94 -39.86 95.12 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.57 71.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.97 -42.39 94.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 109.225 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.17 -40.0 92.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.513 -0.742 . . . . 0.0 109.924 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.4 7.22 43.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.315 -0.866 . . . . 0.0 110.197 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.78 -39.94 53.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.062 -1.024 . . . . 0.0 109.231 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.63 -39.0 86.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.387 -0.821 . . . . 0.0 110.505 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.15 -40.04 92.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.19 -13.02 39.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.933 -1.105 . . . . 0.0 109.522 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 58.58 -135.39 0.94 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -86.66 0.02 55.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 109.795 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.97 80.46 6.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.965 -1.085 . . . . 0.0 109.216 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.96 -26.38 64.08 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.505 -0.747 . . . . 0.0 109.684 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.1 -41.75 93.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.146 -0.971 . . . . 0.0 110.151 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.84 81.32 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.038 -1.039 . . . . 0.0 109.21 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.2 ttp -62.36 -43.66 98.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.916 . . . . 0.0 109.525 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.42 -40.44 86.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -63.24 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.927 . . . . 0.0 109.947 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.17 -40.04 74.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -95.73 0.04 52.01 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.231 -0.918 . . . . 0.0 109.681 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 18.8 m120 50.9 44.99 28.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 mt -110.66 115.03 54.2 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.514 -0.741 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' VAL . 85.8 Cg_exo -46.8 149.76 2.96 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.468 1.445 . . . . 0.0 111.472 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -39.81 -19.87 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.541 2.16 . . . . 0.0 113.409 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.3 t -60.03 -53.49 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 120.869 -1.144 . . . . 0.0 110.915 -178.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.11 -37.85 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.019 -1.051 . . . . 0.0 110.43 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.47 89.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.822 -1.174 . . . . 0.0 108.528 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.36 -40.0 89.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.504 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.264 -0.897 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.01 -40.73 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.166 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.3 -40.03 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.51 56.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.529 -0.732 . . . . 0.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -87.18 -47.52 8.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.132 -0.98 . . . . 0.0 108.92 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.94 126.37 27.14 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.11 -26.16 47.87 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.176 -0.952 . . . . 0.0 109.873 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.24 -43.93 48.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.166 -0.959 . . . . 0.0 110.646 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.74 -28.75 33.18 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.966 -1.083 . . . . 0.0 110.918 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.01 -57.49 4.94 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.834 -1.166 . . . . 0.0 110.355 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -83.28 136.38 34.4 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.111 -0.993 . . . . 0.0 109.122 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.26 119.93 22.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.105 -0.997 . . . . 0.0 108.968 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.24 -159.64 0.28 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -85.42 142.9 28.92 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -1.215 . . . . 0.0 109.237 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.21 112.38 7.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.164 -0.96 . . . . 0.0 109.36 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.0 tpp -163.15 -23.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -86.44 135.74 33.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.483 -0.761 . . . . 0.0 109.048 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.09 -89.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -160.08 160.01 32.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -1.18 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.93 134.33 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.625 -179.794 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.14 144.24 25.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.499 -0.751 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 17.6 p-10 -59.96 -40.24 88.34 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -14.61 0.39 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' ASP . 67.1 mt -60.03 -43.04 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.0 108.495 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -62.95 -40.01 96.38 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.78 -39.93 95.46 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -34.68 71.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.652 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.01 -42.42 94.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.18 -39.93 92.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.537 -0.727 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -92.42 7.37 43.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.27 -0.893 . . . . 0.0 110.203 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.78 -40.08 54.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.015 . . . . 0.0 109.166 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.51 -39.14 86.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.11 -40.06 92.35 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 0.0 110.391 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.15 -12.67 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 109.615 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 58.45 -135.34 0.96 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.86 . . . . 0.0 109.613 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -86.57 -0.13 55.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -0.84 . . . . 0.0 109.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.06 80.71 6.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.957 -1.089 . . . . 0.0 109.09 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -70.03 -26.25 63.95 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.424 -0.798 . . . . 0.0 109.697 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 0.0 110.152 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.91 80.76 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.037 -1.04 . . . . 0.0 109.213 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.4 ttp -62.24 -43.9 97.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.503 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.24 -40.29 85.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 0.0 109.761 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -63.39 -39.98 95.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.933 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.27 -39.98 74.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -95.53 0.01 52.59 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.238 -0.914 . . . . 0.0 109.713 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 23' ' ' ALA . 18.7 m120 50.81 44.96 27.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 109.692 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -110.59 114.99 54.38 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.784 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 84.9 Cg_exo -46.83 149.68 3.03 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.473 1.449 . . . . 0.0 111.478 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -39.64 -20.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.554 2.17 . . . . 0.0 113.444 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 70.4 t -60.04 -53.34 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.874 -1.141 . . . . 0.0 110.977 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.19 -37.77 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.985 -1.072 . . . . 0.0 110.423 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.58 88.93 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.904 -1.122 . . . . 0.0 108.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -60.26 -40.04 88.93 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.465 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.01 -40.34 97.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.451 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.93 -40.93 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 120.932 -1.105 . . . . 0.0 108.098 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.21 -39.99 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.567 -0.708 . . . . 0.0 109.649 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -87.33 -47.48 8.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.131 -0.981 . . . . 0.0 108.832 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -57.91 126.31 26.89 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -77.96 -26.23 48.64 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.87 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.41 -43.67 48.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 0.0 110.697 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.4 m -81.86 -28.79 32.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 110.903 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.01 -57.54 4.88 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -83.22 136.37 34.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.034 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -78.33 119.77 22.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 108.98 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.38 -159.83 0.28 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -85.45 142.87 28.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.25 . . . . 0.0 109.228 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.94 112.34 7.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.202 -0.936 . . . . 0.0 109.329 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.4 tpp -162.95 -24.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -85.59 136.25 33.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 109.154 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.58 -89.81 0.01 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -160.14 160.01 32.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.174 -1.192 . . . . 0.0 109.91 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -111.89 134.21 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.686 -179.85 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.9 mt -102.44 139.71 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 61.5 t0 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.85 -12.46 0.14 Allowed Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.2 mt -59.75 -31.81 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.347 -1.09 . . . . 0.0 108.233 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -60.03 -39.95 87.68 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.68 -37.72 88.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.19 -0.944 . . . . 0.0 108.628 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.91 74.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.35 -0.844 . . . . 0.0 109.286 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 109.069 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.83 -39.97 91.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.429 -0.795 . . . . 0.0 109.978 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -90.06 1.63 56.13 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.269 -0.894 . . . . 0.0 110.108 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -49.32 -45.35 45.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.86 -39.46 89.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.634 -0.666 . . . . 0.0 109.586 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.06 -39.91 87.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 109.386 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -84.25 -12.78 54.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -0.982 . . . . 0.0 109.513 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 57.42 -137.37 0.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.379 -0.825 . . . . 0.0 109.771 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m -83.55 -3.28 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.821 . . . . 0.0 109.654 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.81 76.56 6.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.98 -25.95 63.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.425 -0.797 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -40.12 93.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -0.918 . . . . 0.0 109.776 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.74 83.1 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.4 ttp -62.21 -41.86 98.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.956 . . . . 0.0 109.206 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.83 -39.9 78.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.169 -0.957 . . . . 0.0 109.18 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.09 -38.69 88.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.176 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -69.54 -43.85 72.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.699 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -91.56 -0.77 57.63 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.301 -0.874 . . . . 0.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m120 51.5 50.09 19.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.28 -0.888 . . . . 0.0 110.111 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -119.45 152.01 52.27 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.439 -0.788 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 160.56 49.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 0.0 111.102 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.93 -24.04 23.14 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.03 -50.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.956 -1.09 . . . . 0.0 109.899 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.81 -42.61 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.175 -0.953 . . . . 0.0 109.928 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.83 72.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.911 . . . . 0.0 109.553 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.38 -40.01 92.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.378 -0.826 . . . . 0.0 110.091 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.054 -1.029 . . . . 0.0 108.448 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.76 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.28 -24.05 62.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.644 -0.66 . . . . 0.0 110.555 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -93.93 -31.99 14.07 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.908 -1.12 . . . . 0.0 109.626 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.78 130.44 46.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.104 -0.998 . . . . 0.0 109.208 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.07 -38.68 63.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 111.199 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -70.85 -41.89 70.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.961 -1.087 . . . . 0.0 110.789 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -83.16 8.88 11.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.783 -1.198 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.5 tp-100 -77.85 -69.99 0.51 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.891 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.08 124.94 30.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.269 -0.895 . . . . 0.0 109.179 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -78.67 132.41 37.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.876 . . . . 0.0 109.341 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.09 -176.75 1.15 Allowed Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.23 143.36 27.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -1.052 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -128.22 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 109.381 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm 54.82 39.95 31.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.951 . . . . 0.0 109.261 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -152.26 -61.31 0.16 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 0.0 109.181 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.8 -134.11 3.47 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -80.05 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -1.091 . . . . 0.0 109.14 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.25 139.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.16 -0.963 . . . . 0.0 109.568 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.627 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.4 139.78 37.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.586 -0.696 . . . . 0.0 110.956 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 60.8 t0 -59.97 -39.95 87.38 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.79 -12.58 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 40.1 mt -59.71 -31.82 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.32 -1.106 . . . . 0.0 108.293 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.66 -37.9 89.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.292 -0.88 . . . . 0.0 108.693 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.82 74.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.383 -0.823 . . . . 0.0 109.235 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.01 -40.22 88.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.85 -40.01 91.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.474 -0.767 . . . . 0.0 110.011 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -89.98 1.75 55.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 110.131 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.38 -45.38 45.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.037 -1.039 . . . . 0.0 109.086 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.79 -39.44 88.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.566 -0.709 . . . . 0.0 109.591 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.252 -0.905 . . . . 0.0 109.37 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -84.24 -12.85 54.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.085 -1.01 . . . . 0.0 109.508 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 57.41 -137.34 0.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.75 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.7 m -83.6 -3.1 57.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.676 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.04 76.46 6.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.088 -1.007 . . . . 0.0 109.274 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.4 -40.2 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.766 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.8 83.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.335 -0.853 . . . . 0.0 109.464 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 45.5 ttp -62.08 -41.96 98.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.23 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.69 -39.9 78.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 0.0 109.262 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t -66.2 -38.56 88.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.439 -0.788 . . . . 0.0 110.128 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -69.62 -43.71 72.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 109.778 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.71 -0.68 57.57 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.412 -0.805 . . . . 0.0 109.31 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.4 m120 51.48 49.89 20.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 mt -119.39 152.04 52.16 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.411 -0.805 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.0 160.56 49.19 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.215 1.943 . . . . 0.0 111.081 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.0 -24.03 23.46 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.618 2.212 . . . . 0.0 112.744 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.94 -50.12 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.924 -1.11 . . . . 0.0 109.911 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.69 -42.67 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.881 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.72 72.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.165 -0.959 . . . . 0.0 109.742 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.43 -40.04 92.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.365 -0.835 . . . . 0.0 110.114 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.1 -40.09 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.054 -1.029 . . . . 0.0 108.424 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.72 -40.02 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.4 -23.9 62.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.551 -0.718 . . . . 0.0 110.562 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.3 m -93.91 -32.05 14.05 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.927 -1.108 . . . . 0.0 109.542 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.65 130.34 46.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 109.158 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -74.11 -38.66 63.76 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.84 . . . . 0.0 111.159 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -70.76 -41.92 71.11 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.948 -1.095 . . . . 0.0 110.822 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.02 8.69 12.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.738 -1.226 . . . . 0.0 109.508 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -77.76 -70.05 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.256 -0.902 . . . . 0.0 109.811 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -82.96 124.92 30.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.129 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -78.6 132.62 37.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.94 -176.86 1.05 Allowed Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -86.28 143.47 27.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -1.086 . . . . 0.0 109.704 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.94 -128.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 96.8 mmm 54.55 40.01 31.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.18 -0.95 . . . . 0.0 109.371 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -152.2 -61.61 0.16 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.12 -134.12 3.44 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -79.96 -70.05 0.54 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -1.073 . . . . 0.0 109.197 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.31 139.85 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.267 -0.896 . . . . 0.0 109.52 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.66 -179.76 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.22 144.57 26.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.613 0.72 . . . . 0.0 110.593 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.9 m-20 -59.88 -40.08 87.46 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 178.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.54 -19.59 0.29 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' ASP . 82.7 mt -60.23 -40.65 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.398 -1.06 . . . . 0.0 108.358 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -60.03 -40.12 88.22 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -64.92 -39.41 93.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.548 -0.72 . . . . 0.0 109.126 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.67 79.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 0.0 109.822 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.0 -43.31 95.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.039 -1.038 . . . . 0.0 109.863 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.1 -39.9 87.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.89 11.51 33.52 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.277 -0.889 . . . . 0.0 110.539 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.8 -39.94 40.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.006 . . . . 0.0 109.439 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 98.9 mt-10 -60.09 -39.29 85.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 63.2 tttp -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.967 . . . . 0.0 109.934 -179.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -86.21 -17.52 34.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.951 -1.093 . . . . 0.0 109.494 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 27.3 m80 58.67 -137.63 0.83 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.776 . . . . 0.0 110.115 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -83.98 -3.03 57.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.032 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.67 76.92 8.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.915 -1.115 . . . . 0.0 109.477 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.56 -17.11 61.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.214 -0.928 . . . . 0.0 109.536 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 20' ' ' ARG . 20.0 mmm-85 -60.04 -49.62 76.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.0 109.093 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.6 97.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.548 -0.72 . . . . 0.0 109.27 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -61.48 -46.71 88.85 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.307 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.13 -39.97 84.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.058 -1.026 . . . . 0.0 109.64 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -66.74 -37.76 85.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 0.0 110.153 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.084 -1.01 . . . . 0.0 109.619 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -95.15 -0.11 53.66 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.265 -0.897 . . . . 0.0 109.472 179.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.8 m120 50.86 49.11 21.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.255 -0.903 . . . . 0.0 110.139 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.48 152.25 46.87 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 121.385 -0.822 . . . . 0.0 109.422 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.93 160.15 50.69 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.117 1.878 . . . . 0.0 110.56 178.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.09 -20.88 20.04 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.406 2.071 . . . . 0.0 111.55 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.02 -55.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.034 -1.041 . . . . 0.0 110.139 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -72.57 -42.1 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.253 -0.905 . . . . 0.0 110.406 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.79 72.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 0.0 109.686 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -60.07 -40.06 88.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.264 -0.897 . . . . 0.0 109.336 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.67 -40.5 92.34 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.473 -0.767 . . . . 0.0 110.145 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.07 -43.45 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.038 -1.039 . . . . 0.0 108.463 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.74 -39.97 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -19.67 45.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.695 -0.628 . . . . 0.0 110.295 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -91.76 -41.98 10.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.95 -1.093 . . . . 0.0 109.322 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -59.4 129.95 44.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.224 -0.922 . . . . 0.0 108.667 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.3 -36.0 61.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.276 -0.89 . . . . 0.0 110.793 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.74 -43.31 69.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.009 . . . . 0.0 110.956 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.23 -30.39 38.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.86 -1.15 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -72.63 -60.03 2.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.823 -1.173 . . . . 0.0 110.505 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.46 129.4 34.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.084 -1.01 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -79.04 143.85 35.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.36 -0.838 . . . . 0.0 109.055 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.92 54.65 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.1 144.39 29.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.16 -1.2 . . . . 0.0 108.781 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.22 14.25 0.05 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.0 110.096 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.5 mtm -79.26 -94.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.958 . . . . 0.0 108.663 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -86.53 150.31 24.34 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.246 -0.909 . . . . 0.0 109.049 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.13 90.3 0.09 OUTLIER Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -74.06 -35.11 64.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -1.137 . . . . 0.0 110.154 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.92 1.71 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.235 -0.916 . . . . 0.0 109.594 -179.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.254 179.777 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.732 0.777 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -96.17 144.46 26.38 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.654 0.74 . . . . 0.0 110.529 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.2 m-20 -60.03 -39.92 87.53 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.62 -19.59 0.31 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' ASP . 82.6 mt -60.14 -40.84 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.37 -1.077 . . . . 0.0 108.279 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.0 -39.49 93.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.551 -0.718 . . . . 0.0 109.117 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.58 79.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.792 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.06 -43.06 95.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 109.872 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.25 -40.01 88.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.263 -0.898 . . . . 0.0 110.257 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -95.87 11.55 33.34 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.303 -0.873 . . . . 0.0 110.538 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -49.68 -40.04 38.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.013 -1.054 . . . . 0.0 109.51 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 98.8 mt-10 -60.04 -39.41 85.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.288 -0.883 . . . . 0.0 109.876 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.478 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 63.2 tttp -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.972 -179.04 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -86.29 -17.43 34.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 26.9 m80 58.61 -137.84 0.83 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.434 -0.791 . . . . 0.0 110.089 179.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -84.02 -2.97 57.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.934 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -81.54 76.79 8.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.981 -1.074 . . . . 0.0 109.415 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -72.64 -16.94 61.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 109.546 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' B' ' 20' ' ' ARG . 20.0 mmm-85 -60.4 -49.49 77.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.009 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -41.6 97.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.498 -0.751 . . . . 0.0 109.236 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.9 ttp -61.54 -46.62 89.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.1 -40.06 84.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.951 -1.093 . . . . 0.0 109.689 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -66.78 -37.71 85.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 110.108 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -69.15 -39.85 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.117 -0.989 . . . . 0.0 109.699 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -95.19 -0.09 53.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.9 m120 50.72 49.38 21.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.65 152.3 47.11 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.06 160.08 50.9 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.208 1.939 . . . . 0.0 110.443 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.1 -20.87 20.06 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.322 2.015 . . . . 0.0 111.558 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.94 -55.47 23.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.158 -0.964 . . . . 0.0 110.17 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.53 -41.83 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.263 -0.898 . . . . 0.0 110.44 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.81 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.957 . . . . 0.0 109.591 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.0 109.387 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.59 -40.53 92.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.488 -0.757 . . . . 0.0 110.165 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.07 -43.58 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.937 -1.102 . . . . 0.0 108.439 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.78 -39.92 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.96 -19.65 45.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.845 -0.534 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -91.84 -42.07 10.28 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.957 -1.09 . . . . 0.0 109.283 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.6 t -59.45 129.73 43.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 108.586 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -75.15 -36.19 61.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.307 -0.87 . . . . 0.0 110.775 -179.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -70.57 -43.0 70.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.0 110.981 -178.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 76.1 m -80.63 -30.32 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.649 -1.282 . . . . 0.0 110.525 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.59 -59.99 2.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.678 -1.264 . . . . 0.0 110.432 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -85.36 129.48 34.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.515 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -79.12 143.85 35.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.044 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.6 -50.61 56.69 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.32 144.37 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -1.167 . . . . 0.0 108.681 179.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.19 14.27 0.05 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.945 -1.097 . . . . 0.0 110.002 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.5 mtm -79.39 -94.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.003 -1.06 . . . . 0.0 108.647 179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -85.92 150.38 24.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.198 -0.939 . . . . 0.0 109.101 178.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.99 90.33 0.09 OUTLIER Glycine 0 N--CA 1.499 2.861 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -73.92 -35.07 64.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.293 -1.122 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.19 1.89 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.278 -0.889 . . . . 0.0 109.572 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.346 179.581 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.73 137.77 37.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 111.18 -178.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 95.6 m-20 -60.63 -39.44 88.24 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.28 -13.73 0.14 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 44.1 mt -58.69 -31.25 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -59.99 -40.12 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -65.04 -37.71 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.765 . . . . 0.0 108.985 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -37.17 77.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.819 . . . . 0.0 109.474 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -39.47 86.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.566 -0.709 . . . . 0.0 109.766 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -93.54 3.01 56.22 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.212 -0.93 . . . . 0.0 110.672 -178.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.96 -47.22 52.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.73 -1.231 . . . . 0.0 109.066 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.17 -39.37 86.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.464 -0.772 . . . . 0.0 109.429 179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 1.2 tmtp? -60.18 -40.03 88.56 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.278 -0.888 . . . . 0.0 109.782 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.12 -13.44 52.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.058 -1.027 . . . . 0.0 108.831 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 22.1 m80 58.46 -134.42 1.01 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.487 -0.758 . . . . 0.0 110.11 179.322 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.83 -7.64 59.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.263 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.71 76.87 6.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.02 -1.05 . . . . 0.0 109.797 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -70.28 -27.01 64.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.866 . . . . 0.0 109.83 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -60.03 -40.0 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.009 -1.057 . . . . 0.0 109.817 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 108.807 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.8 ttp -62.12 -43.92 97.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.343 -0.848 . . . . 0.0 109.26 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.99 84.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.129 -0.982 . . . . 0.0 109.389 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -65.34 -38.43 90.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.34 -0.85 . . . . 0.0 109.911 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.87 -40.21 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.163 -0.96 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -92.7 -1.27 56.98 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.105 -0.997 . . . . 0.0 109.179 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 53.11 48.81 21.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.521 -0.737 . . . . 0.0 110.734 179.024 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.6 151.4 48.31 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.15 152.91 56.87 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.953 1.769 . . . . 0.0 112.105 -179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.65 -24.83 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.45 2.1 . . . . 0.0 113.02 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.74 -50.15 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.991 -1.068 . . . . 0.0 110.229 -178.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.2 -40.94 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.864 -1.147 . . . . 0.0 109.632 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.88 67.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.258 -0.902 . . . . 0.0 109.436 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.05 -39.66 86.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.135 -0.978 . . . . 0.0 109.517 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.51 -40.13 93.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.252 -0.905 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.49 -41.35 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 120.907 -1.121 . . . . 0.0 108.522 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.51 -39.94 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.51 -18.71 31.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.673 -0.642 . . . . 0.0 110.174 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -91.33 -44.75 8.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.849 -1.157 . . . . 0.0 108.908 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.39 127.09 30.04 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.0 108.86 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -78.86 -25.83 44.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.685 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.12 -41.67 61.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.786 -1.196 . . . . 0.0 110.375 -179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.29 -28.19 34.75 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.152 -0.968 . . . . 0.0 111.119 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.04 -58.46 3.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.152 . . . . 0.0 110.286 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.64 138.43 32.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.024 -1.048 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -77.02 118.68 19.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.672 179.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.93 -148.18 6.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.21 87.53 7.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -1.153 . . . . 0.0 108.98 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.25 -146.02 0.1 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.373 -0.83 . . . . 0.0 109.97 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.8 ttt -73.29 140.36 46.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.486 -0.759 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -78.18 -31.58 49.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.994 . . . . 0.0 109.507 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.59 -38.15 3.39 Favored Glycine 0 N--CA 1.502 3.072 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 49.94 56.9 7.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.125 -1.22 . . . . 0.0 109.619 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.2 m -92.25 12.97 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.418 -0.801 . . . . 0.0 109.937 -179.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.11 -0.993 . . . . 0.0 109.351 179.912 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.7 mt -99.43 137.73 37.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 111.227 -178.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.8 m-20 -60.73 -39.4 88.51 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.109 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.12 -13.73 0.12 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 179.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ASP . 44.5 mt -58.83 -31.17 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.13 -39.99 88.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -65.2 -37.91 88.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.34 77.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 109.505 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.21 -39.88 88.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.177 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.547 -0.721 . . . . 0.0 109.768 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.42 3.02 56.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.182 -0.949 . . . . 0.0 110.799 -179.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -49.9 -47.18 52.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.873 -1.142 . . . . 0.0 109.088 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.29 -39.38 86.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 109.376 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.456 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 1.3 tmtp? -60.13 -39.87 87.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.299 -0.875 . . . . 0.0 109.781 -179.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -84.2 -13.58 52.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.094 -1.003 . . . . 0.0 108.854 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.456 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 22.2 m80 58.56 -134.5 0.99 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.476 -0.765 . . . . 0.0 110.092 179.281 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -82.81 -7.37 59.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.444 -0.785 . . . . 0.0 110.338 -179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.99 77.0 6.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.751 -179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -70.46 -26.88 63.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.431 -0.793 . . . . 0.0 109.826 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -60.04 -40.04 88.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.68 79.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 108.754 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -62.34 -43.98 97.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.222 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.1 83.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.163 -0.96 . . . . 0.0 109.449 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -65.2 -38.59 90.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.926 . . . . 0.0 109.925 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.102 -0.999 . . . . 0.0 110.545 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.46 -1.14 57.2 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.027 -1.046 . . . . 0.0 109.24 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m120 52.96 48.87 21.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.78 179.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.58 151.42 48.32 Favored Pre-proline 0 N--CA 1.501 2.124 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.26 152.98 56.36 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.994 1.796 . . . . 0.0 111.996 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.73 -24.71 0.28 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.511 2.141 . . . . 0.0 113.158 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.86 -50.03 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.02 -1.05 . . . . 0.0 110.07 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -76.29 -40.89 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.995 -1.066 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.68 68.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 109.4 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.033 -1.042 . . . . 0.0 109.411 178.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.08 -40.21 92.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.283 -0.886 . . . . 0.0 110.528 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.21 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.526 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.6 -39.92 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 177.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -19.0 32.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.766 -0.584 . . . . 0.0 110.212 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.4 m -91.31 -44.81 8.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.857 -1.152 . . . . 0.0 108.931 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.4 127.44 31.77 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.277 -0.889 . . . . 0.0 108.723 179.041 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -79.25 -25.56 42.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.962 -1.086 . . . . 0.0 110.574 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -74.32 -41.36 61.24 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.863 -1.148 . . . . 0.0 110.398 -179.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.37 -28.36 34.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.068 -1.02 . . . . 0.0 111.122 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.93 -58.55 3.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.828 -1.17 . . . . 0.0 110.304 -178.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -85.69 138.39 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.079 -1.013 . . . . 0.0 109.475 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -76.99 119.1 20.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.055 -1.028 . . . . 0.0 108.56 179.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.47 -148.1 5.95 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -88.11 87.25 7.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 108.993 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.46 -146.4 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.788 . . . . 0.0 109.921 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.74 140.01 47.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.7 -31.52 52.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.071 -1.018 . . . . 0.0 109.659 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.22 -38.05 3.45 Favored Glycine 0 N--CA 1.501 3.016 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 49.97 57.0 7.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.101 -1.235 . . . . 0.0 109.601 179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.3 m -92.49 12.93 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.317 -0.864 . . . . 0.0 109.909 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.1 t0 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.262 179.887 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.492 0.663 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -98.65 140.89 32.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.583 -0.698 . . . . 0.0 110.911 -178.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.0 m-20 -59.89 -39.21 84.58 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.515 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 -14.74 0.12 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.181 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' ASP . 46.1 mt -60.03 -34.21 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.409 -1.053 . . . . 0.0 108.487 178.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.94 -39.87 87.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.63 -39.96 93.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.528 -0.732 . . . . 0.0 109.262 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -37.26 78.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.527 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.95 -42.24 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.003 -1.061 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -39.97 92.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.76 5.52 51.37 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.13 -0.981 . . . . 0.0 110.489 -178.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -49.35 -39.99 33.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.906 -1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 60.2 mm-40 -60.64 -39.95 90.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.947 . . . . 0.0 109.652 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.2 tttm -60.4 -39.48 87.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.281 -0.887 . . . . 0.0 109.739 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -84.55 -16.54 41.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 22.6 m80 58.44 -135.36 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.328 -0.858 . . . . 0.0 110.144 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.4 m -84.87 -0.78 55.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.131 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.54 73.2 8.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 109.926 -179.382 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.93 . . . . 0.0 109.168 179.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.13 -40.37 89.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.88 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.72 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.259 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -61.84 -40.05 93.98 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.505 -0.747 . . . . 0.0 109.667 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.47 -41.74 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 0.0 109.647 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -65.49 -39.74 92.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.463 -179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.05 -40.04 78.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.021 -1.049 . . . . 0.0 110.179 -179.026 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -94.99 -2.27 50.74 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.019 -1.051 . . . . 0.0 109.392 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.3 m-80 51.86 50.01 19.53 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.22 -0.925 . . . . 0.0 110.14 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -117.23 151.6 48.03 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.568 -0.707 . . . . 0.0 109.255 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.82 153.8 42.98 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.032 1.821 . . . . 0.0 112.214 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -42.19 -26.58 0.55 Allowed 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.71 2.273 . . . . 0.0 112.888 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.96 -49.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.168 -0.958 . . . . 0.0 109.976 -178.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -76.74 -41.26 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 110.139 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.09 66.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.515 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.02 -40.01 87.8 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.3 -0.875 . . . . 0.0 109.477 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.87 -40.7 96.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.43 -40.44 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.0 -39.96 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.543 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.15 -17.83 43.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.707 -0.621 . . . . 0.0 110.674 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -96.91 -36.7 10.48 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.79 -1.194 . . . . 0.0 110.211 -178.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 t -59.13 131.67 51.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.061 -1.024 . . . . 0.0 109.222 179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.52 -34.69 63.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.274 -0.891 . . . . 0.0 110.958 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.818 -1.176 . . . . 0.0 110.172 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -87.15 0.31 55.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.087 -1.008 . . . . 0.0 110.068 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.2 tp-100 -69.85 -60.04 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.564 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt -86.79 147.77 25.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.316 -0.865 . . . . 0.0 109.613 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' C ' ' H ' ' A' ' 48' ' ' GLU . 70.8 mmtt -79.31 168.16 19.91 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 16.13 0.07 OUTLIER Glycine 0 N--CA 1.493 2.459 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.955 -179.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 46' ' ' LYS . 84.9 tt0 -153.4 83.09 1.18 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.697 -1.472 . . . . 0.0 108.922 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.09 -8.71 59.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.373 -0.83 . . . . 0.0 110.508 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.9 ttm -73.27 138.37 45.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.947 -1.095 . . . . 0.0 110.152 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 52' ' ' GLY . 57.2 t-80 -152.85 171.05 18.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.553 -0.717 . . . . 0.0 109.118 -179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' A' ' 51' ' ' HIS . . . -47.42 150.81 2.28 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -77.95 147.8 34.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.197 -1.178 . . . . 0.0 110.243 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 2.8 t -96.73 -13.45 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.484 -0.76 . . . . 0.0 108.951 179.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 88.0 m-20 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.132 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -98.8 140.74 32.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.567 -0.708 . . . . 0.0 110.913 -178.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.03 -39.0 84.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.5 -14.91 0.12 Allowed Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.9 mt -60.01 -34.13 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.997 . . . . 0.0 108.535 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.31 -40.01 92.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.26 79.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.64 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.0 -42.25 93.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.082 -1.011 . . . . 0.0 109.016 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.02 92.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.355 -0.84 . . . . 0.0 110.34 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.61 5.54 51.27 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.182 -0.949 . . . . 0.0 110.38 -178.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -49.35 -40.39 35.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.828 -1.17 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 59.5 mm-40 -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.843 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.461 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.46 -39.45 87.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.717 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -84.3 -17.03 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.387 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 22.1 m80 58.84 -135.13 0.92 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.5 m -85.31 -0.83 55.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.388 -0.82 . . . . 0.0 110.212 -179.151 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -81.27 73.06 8.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.06 -1.025 . . . . 0.0 109.926 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -28.13 65.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.159 -0.963 . . . . 0.0 109.102 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.31 -40.3 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.26 80.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.261 -0.899 . . . . 0.0 109.162 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.0 ttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.665 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.58 -41.54 85.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 109.656 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -65.88 -39.6 90.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 110.42 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.95 -40.06 79.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.091 -1.006 . . . . 0.0 110.137 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -95.1 -1.93 51.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.248 -0.907 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 6.6 m-80 51.5 50.05 19.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.171 -0.956 . . . . 0.0 110.203 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 mt -116.94 151.66 47.71 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.602 -0.686 . . . . 0.0 109.29 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.74 153.56 43.23 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.147 1.898 . . . . 0.0 112.206 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.08 -26.44 0.5 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.64 2.227 . . . . 0.0 113.07 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.01 -49.98 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -0.95 . . . . 0.0 109.927 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.84 -41.3 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.109 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.97 67.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.17 -39.83 87.78 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.298 -0.877 . . . . 0.0 109.534 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.07 -40.14 94.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 110.057 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.76 -40.3 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.99 -39.98 84.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.432 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -60.15 -18.24 46.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.652 -0.655 . . . . 0.0 110.581 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.8 m -96.41 -36.46 10.82 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.861 -1.149 . . . . 0.0 110.305 -178.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.56 131.67 51.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.956 -1.09 . . . . 0.0 109.152 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -74.36 -34.79 63.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.326 -0.859 . . . . 0.0 111.031 -179.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.0 -40.09 75.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.827 -1.17 . . . . 0.0 110.035 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 45.1 m -87.0 -0.02 55.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.035 -1.041 . . . . 0.0 110.104 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -69.69 -60.06 2.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.929 -1.107 . . . . 0.0 109.56 -179.52 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.96 147.93 25.54 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.312 -0.867 . . . . 0.0 109.535 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.551 ' C ' ' H ' ' B' ' 48' ' ' GLU . 70.7 mmtt -79.4 168.59 19.28 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.47 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.44 16.0 0.07 OUTLIER Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.968 -179.341 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' B' ' 46' ' ' LYS . 85.0 tt0 -153.37 82.84 1.18 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.752 -1.44 . . . . 0.0 108.948 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.83 59.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.485 -0.759 . . . . 0.0 110.488 -179.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.6 ttm -72.75 138.71 46.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.898 -1.126 . . . . 0.0 110.075 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.43 ' CG ' ' N ' ' B' ' 52' ' ' GLY . 56.8 t-80 -153.04 171.3 18.6 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.54 -0.725 . . . . 0.0 109.231 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' B' ' 51' ' ' HIS . . . -47.46 151.17 2.18 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -78.46 147.6 33.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -1.18 . . . . 0.0 110.213 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.459 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 2.8 t -96.51 -13.2 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.393 -0.817 . . . . 0.0 109.028 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 87.9 m-20 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.124 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 28' ' ' LEU . 61.2 mt -101.84 143.12 32.13 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.833 0.825 . . . . 0.0 111.294 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 -12.92 0.23 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.7 mt -60.98 -34.86 61.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.263 -1.139 . . . . 0.0 108.576 178.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.98 -39.25 85.06 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.02 -38.3 90.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.396 -0.815 . . . . 0.0 108.952 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.49 79.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.366 -0.834 . . . . 0.0 109.967 -179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.08 -40.92 91.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.101 -0.999 . . . . 0.0 110.193 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.46 -39.95 89.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.013 -1.054 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.06 1.49 57.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.175 -0.953 . . . . 0.0 110.698 -178.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -47.89 -43.13 28.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.843 -1.161 . . . . 0.0 109.691 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -62.03 -40.03 94.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.96 -39.93 93.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -85.41 -13.39 49.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.055 -1.028 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.74 -136.17 1.01 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.502 -0.749 . . . . 0.0 110.521 179.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 t -84.98 0.14 52.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.04 79.54 7.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.924 -1.11 . . . . 0.0 109.471 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.07 -25.12 63.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.503 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.36 73.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.231 -0.918 . . . . 0.0 109.152 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -61.34 -45.22 95.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.376 -0.827 . . . . 0.0 109.349 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 109.536 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -66.38 -37.69 85.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.519 -0.738 . . . . 0.0 109.815 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.87 -40.01 75.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.289 -0.882 . . . . 0.0 109.711 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.48 47.22 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.368 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ALA . 30.0 m120 51.15 47.66 24.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.241 -0.912 . . . . 0.0 110.34 179.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 2' ' ' LEU . 57.5 mt -112.38 131.1 22.76 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.291 -0.881 . . . . 0.0 109.77 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 96.1 Cg_exo -43.8 141.4 4.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.718 1.612 . . . . 0.0 111.931 179.025 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -39.77 -21.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.439 2.093 . . . . 0.0 113.083 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -59.99 -50.45 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.028 -1.045 . . . . 0.0 110.591 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.7 -41.14 62.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.858 -1.151 . . . . 0.0 110.485 -179.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.04 71.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.019 . . . . 0.0 109.438 -179.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.136 -0.977 . . . . 0.0 109.691 179.046 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.43 -40.41 94.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 110.187 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -40.51 83.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.17 -39.97 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.95 49.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.759 -0.588 . . . . 0.0 109.73 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.1 m -90.33 -45.6 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.123 -0.985 . . . . 0.0 108.674 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.98 126.86 29.17 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.82 -28.24 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.79 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.58 -42.95 57.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.007 -1.058 . . . . 0.0 110.852 -178.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.55 -24.37 39.31 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.08 -1.013 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.33 -48.77 66.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.829 -1.169 . . . . 0.0 110.214 -178.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' B' ' 45' ' ' LEU . 86.0 mt -88.29 121.36 30.59 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.068 -1.02 . . . . 0.0 109.07 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -79.99 -70.1 0.54 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.214 -0.929 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' H ' ' H ' ' A' ' 48' ' ' GLU . . . 169.93 15.04 0.02 OUTLIER Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' H ' ' H ' ' A' ' 47' ' ' GLY . 46.3 mt-10 -85.5 38.05 0.72 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -1.101 . . . . 0.0 109.344 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.89 164.36 23.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 ttt 59.46 36.29 23.06 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.461 ' H ' ' CD2' ' A' ' 51' ' ' HIS . 14.7 p80 -83.0 158.81 22.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.547 -0.721 . . . . 0.0 109.594 -179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.55 88.96 0.02 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -78.88 146.53 33.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.167 -1.196 . . . . 0.0 109.282 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.22 137.9 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 109.661 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.336 179.973 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.5 mt -101.88 143.13 32.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.783 0.802 . . . . 0.0 111.344 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 5' ' ' ILE . 91.5 m-20 -59.97 -37.24 79.01 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.5 -12.91 0.22 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.5 mt -61.11 -34.75 61.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.375 -1.073 . . . . 0.0 108.556 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.97 -39.32 85.26 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -63.08 -37.92 89.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.491 -0.756 . . . . 0.0 109.01 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.66 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -0.841 . . . . 0.0 109.96 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.99 -40.94 90.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.162 -0.961 . . . . 0.0 110.214 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.5 -39.95 89.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.051 -1.031 . . . . 0.0 109.907 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -90.91 1.37 57.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.172 -0.955 . . . . 0.0 110.682 -178.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.77 -43.17 27.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.825 -1.172 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.0 -40.05 94.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.897 . . . . 0.0 110.27 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.93 -40.01 94.02 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.059 -1.025 . . . . 0.0 110.021 -179.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -85.53 -13.06 50.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.01 -1.056 . . . . 0.0 109.778 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 m80 57.6 -136.34 1.01 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.413 -0.804 . . . . 0.0 110.53 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.9 t -84.91 0.06 52.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.364 -0.835 . . . . 0.0 110.119 -179.04 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -81.07 79.64 7.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.998 -1.064 . . . . 0.0 109.31 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.1 -25.15 63.37 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.408 -0.808 . . . . 0.0 109.473 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.88 -42.08 93.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.855 . . . . 0.0 110.013 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 109.106 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.373 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 109.577 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -66.31 -37.96 86.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.517 -0.739 . . . . 0.0 109.823 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.56 -39.99 77.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 0.0 109.798 -179.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.77 -4.44 47.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.217 -0.927 . . . . 0.0 109.363 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.9 m120 51.09 47.72 24.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 179.374 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.39 131.16 22.73 Favored Pre-proline 0 N--CA 1.502 2.141 0 O-C-N 121.407 -0.808 . . . . 0.0 109.783 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 31' ' ' VAL . 94.2 Cg_exo -43.88 141.27 4.36 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.791 1.661 . . . . 0.0 111.989 178.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.75 -21.62 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.409 2.073 . . . . 0.0 113.31 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.0 -50.11 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.955 -1.091 . . . . 0.0 110.562 -178.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.02 -41.49 59.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.002 -1.061 . . . . 0.0 110.487 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.02 71.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.029 -1.045 . . . . 0.0 109.488 -179.028 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.96 -39.98 87.44 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.17 -0.956 . . . . 0.0 109.757 178.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -61.42 -40.58 94.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.876 . . . . 0.0 110.31 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.1 -40.46 83.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.14 -39.92 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 177.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.24 51.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.688 -0.632 . . . . 0.0 109.709 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 75.2 m -89.68 -45.91 9.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.047 -1.033 . . . . 0.0 108.647 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.82 126.94 29.53 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -78.87 -28.2 44.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 110.778 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.55 -42.86 58.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 110.833 -178.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.7 m -80.75 -24.28 38.8 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.973 -1.08 . . . . 0.0 111.032 -178.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.5 -48.57 66.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.896 -1.128 . . . . 0.0 110.231 -178.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 86.9 mt -88.37 121.36 30.67 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.072 -1.017 . . . . 0.0 108.964 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -80.04 -69.95 0.55 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' B' ' 48' ' ' GLU . . . 169.97 14.62 0.02 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.404 ' H ' ' H ' ' B' ' 47' ' ' GLY . 46.3 mt-10 -85.31 38.12 0.71 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -1.094 . . . . 0.0 109.41 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.9 164.36 23.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.433 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.2 ttt 59.55 35.82 22.73 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.464 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' B' ' 51' ' ' HIS . 14.6 p80 -82.27 158.91 23.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.565 -0.709 . . . . 0.0 109.642 -179.582 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.45 88.9 0.02 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -78.81 146.53 33.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -1.109 . . . . 0.0 109.257 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.3 137.88 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.355 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -99.14 140.5 33.21 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.919 0.866 . . . . 0.0 111.256 -178.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' A' ' 5' ' ' ILE . 57.8 t0 -59.89 -38.39 82.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 -12.39 0.39 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' C ' ' A' ' 3' ' ' ASP . 49.6 mt -60.36 -34.0 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.278 -1.131 . . . . 0.0 108.2 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.05 -38.16 81.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.39 -0.819 . . . . 0.0 109.025 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.63 -39.65 94.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.389 -0.82 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.93 82.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.248 -0.908 . . . . 0.0 109.386 -179.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.99 -41.51 92.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.163 -0.96 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.72 -40.0 95.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.83 7.85 45.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.902 . . . . 0.0 110.357 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -48.87 -41.63 33.92 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.906 -1.122 . . . . 0.0 108.964 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -34.74 74.41 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.609 -0.682 . . . . 0.0 109.358 179.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.073 -1.017 . . . . 0.0 110.289 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.43 -17.31 29.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.027 -1.046 . . . . 0.0 109.76 -179.511 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.57 -126.74 1.71 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.597 -0.689 . . . . 0.0 110.384 179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 m -88.43 -0.32 57.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.78 72.42 7.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.922 -1.111 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -69.92 -27.38 64.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.0 109.231 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.92 -44.49 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.0 109.792 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.03 84.31 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.996 -1.065 . . . . 0.0 108.467 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -61.44 -47.84 83.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.065 178.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.71 -40.12 86.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.246 -0.909 . . . . 0.0 109.057 179.692 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -68.29 -32.09 72.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.499 -0.751 . . . . 0.0 109.303 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.89 -41.81 74.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 108.716 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -95.06 -2.03 50.97 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 28.7 m120 52.82 42.2 31.87 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.404 -0.81 . . . . 0.0 110.301 179.334 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.26 126.63 28.84 Favored Pre-proline 0 N--CA 1.504 2.272 0 O-C-N 121.217 -0.927 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.49 153.63 1.14 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.715 1.61 . . . . 0.0 112.252 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.38 -21.9 0.5 Allowed 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.505 2.137 . . . . 0.0 113.606 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.0 -59.52 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.832 -1.167 . . . . 0.0 109.933 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.5 t -69.96 -41.47 79.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.307 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.045 -1.034 . . . . 0.0 109.509 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.17 -39.97 88.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 108.785 179.239 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.64 -41.28 97.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.476 -0.765 . . . . 0.0 110.437 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.12 -41.56 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.948 -1.095 . . . . 0.0 108.111 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.36 -40.09 85.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.86 -17.75 57.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.66 -0.65 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -93.73 -39.56 10.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.884 -1.135 . . . . 0.0 109.832 -179.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.1 132.75 54.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.026 -1.046 . . . . 0.0 108.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -75.87 -35.56 59.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.334 -0.854 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.81 -40.07 76.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.917 -1.114 . . . . 0.0 109.911 -178.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.2 m -85.41 -2.78 58.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.028 -1.045 . . . . 0.0 110.059 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.5 tp-100 -65.7 -50.2 65.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.986 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -84.09 154.23 23.31 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.122 -0.987 . . . . 0.0 109.0 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -77.33 -13.73 59.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 109.502 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.52 -138.09 6.23 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -85.33 111.39 19.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.317 -1.107 . . . . 0.0 109.477 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.34 57.21 2.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.373 -0.83 . . . . 0.0 109.96 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -161.03 2.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.109 -0.995 . . . . 0.0 108.803 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -153.83 150.72 28.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.489 -0.757 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.73 30.3 0.07 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -179.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -78.71 131.5 36.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.569 -0.959 . . . . 0.0 109.276 -179.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -96.15 135.25 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.301 -0.875 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 21.7 p-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.083 -0.961 . . . . 0.0 109.105 179.759 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.41 140.27 33.85 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.916 0.865 . . . . 0.0 111.175 -178.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.489 ' C ' ' N ' ' B' ' 5' ' ' ILE . 57.8 t0 -59.97 -38.29 82.07 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.074 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.44 -12.42 0.34 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.489 ' N ' ' C ' ' B' ' 3' ' ' ASP . 50.1 mt -60.32 -34.25 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -1.171 . . . . 0.0 108.179 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.84 -38.31 81.7 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.405 -0.809 . . . . 0.0 108.984 179.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -62.41 -39.92 94.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.412 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.06 82.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.225 -0.922 . . . . 0.0 109.47 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.13 -41.2 92.15 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.152 -0.968 . . . . 0.0 109.069 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.82 -40.02 96.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.414 -0.804 . . . . 0.0 110.217 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -98.93 7.89 45.55 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.23 -0.919 . . . . 0.0 110.329 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.0 -41.43 34.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.846 -1.159 . . . . 0.0 108.929 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.76 -34.47 74.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.56 -0.712 . . . . 0.0 109.376 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.45 -39.93 95.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -89.28 -16.98 29.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.009 -1.057 . . . . 0.0 109.696 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 57.3 -127.01 1.78 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.6 -0.687 . . . . 0.0 110.388 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -88.05 -0.42 57.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -80.69 72.53 7.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.902 -1.124 . . . . 0.0 109.357 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -70.0 -27.26 64.55 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -44.52 94.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.741 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.85 85.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.036 -1.04 . . . . 0.0 108.527 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.78 -47.83 83.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.799 . . . . 0.0 109.016 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.47 -40.28 86.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.885 . . . . 0.0 109.079 179.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -68.26 -32.02 71.9 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.381 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.88 -41.91 74.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.147 -0.971 . . . . 0.0 108.683 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -94.94 -2.18 51.03 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' B' ' 23' ' ' ALA . 28.5 m120 53.01 42.23 32.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.25 126.45 29.22 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.232 -0.918 . . . . 0.0 109.948 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.37 153.5 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.799 1.666 . . . . 0.0 112.228 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.32 -22.0 0.5 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.487 2.125 . . . . 0.0 113.496 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.75 -59.47 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.95 -1.093 . . . . 0.0 109.966 -178.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.04 -41.45 79.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.453 -0.779 . . . . 0.0 110.274 -179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.43 73.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.127 -0.983 . . . . 0.0 109.539 -179.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.22 -39.93 88.36 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.324 -0.86 . . . . 0.0 108.822 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -61.9 -41.3 97.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.369 -179.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.23 -41.47 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.948 -1.095 . . . . 0.0 108.119 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.35 -40.01 85.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.73 57.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.648 -0.658 . . . . 0.0 110.325 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -93.86 -39.82 10.5 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.056 -1.028 . . . . 0.0 109.791 -179.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.1 t -59.95 132.73 54.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 108.986 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.76 -35.48 60.15 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.258 -0.901 . . . . 0.0 111.258 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -40.07 76.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.922 -1.111 . . . . 0.0 109.902 -178.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 34.5 m -85.53 -2.94 58.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.979 -1.076 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -65.49 -50.4 65.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.002 -1.061 . . . . 0.0 109.979 -179.375 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -84.04 154.15 23.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.054 -1.029 . . . . 0.0 109.013 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -77.16 -13.93 59.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.217 -0.927 . . . . 0.0 109.515 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.72 -137.91 6.11 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.41 111.19 19.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.253 -1.145 . . . . 0.0 109.554 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.27 56.95 2.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.383 -0.823 . . . . 0.0 109.918 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -160.71 2.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 108.863 179.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -153.67 150.75 28.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.68 30.44 0.07 OUTLIER Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -78.83 131.45 36.49 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.52 -0.988 . . . . 0.0 109.337 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -96.18 135.15 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -0.863 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 21.6 p-10 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.487 0.661 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.85 142.74 33.86 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.41 0.624 . . . . 0.0 110.257 -179.495 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.4 m-20 -60.07 -38.33 82.52 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.161 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.02 -13.42 0.32 Allowed Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' ASP . 50.1 mt -60.83 -40.21 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -1.133 . . . . 0.0 108.552 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.1 -39.92 87.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.74 -39.11 93.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -36.19 76.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.462 -0.773 . . . . 0.0 109.628 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.98 -40.55 89.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.018 -1.051 . . . . 0.0 108.896 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.03 -40.03 94.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 110.071 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.81 5.96 49.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -178.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -49.04 -44.21 41.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.856 -1.153 . . . . 0.0 109.313 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.78 -36.22 82.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.0 109.995 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.01 -14.78 46.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 58.73 -132.04 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 109.741 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -86.86 -0.56 56.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.285 -0.884 . . . . 0.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.95 78.32 6.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.95 -1.094 . . . . 0.0 109.443 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CZ2' ' NE ' ' A' ' 20' ' ' ARG . 64.3 p-90 -71.28 -20.96 62.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.171 -0.956 . . . . 0.0 109.34 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' NE ' ' CZ2' ' A' ' 19' ' ' TRP . 28.5 mmt180 -61.37 -40.1 93.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.188 -0.945 . . . . 0.0 109.618 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.95 93.98 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.321 -0.862 . . . . 0.0 108.988 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -59.92 -50.0 75.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.366 -0.834 . . . . 0.0 109.252 179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.056 -1.028 . . . . 0.0 108.875 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.505 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 30.7 t -67.03 -37.23 83.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.716 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -69.99 -46.4 65.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.877 . . . . 0.0 109.928 -179.302 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.9 -0.82 50.43 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.366 -0.834 . . . . 0.0 109.882 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.5 m120 52.17 49.17 21.17 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.226 -0.921 . . . . 0.0 110.612 179.2 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.93 151.77 49.29 Favored Pre-proline 0 N--CA 1.507 2.416 0 O-C-N 121.25 -0.907 . . . . 0.0 110.163 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.43 159.55 10.48 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.704 1.603 . . . . 0.0 110.606 177.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.83 -19.8 40.8 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.392 2.061 . . . . 0.0 112.134 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.03 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.189 -0.944 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.44 -44.71 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.826 -1.171 . . . . 0.0 110.581 -178.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.73 -50.46 72.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.795 -1.19 . . . . 0.0 109.704 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.49 -39.97 89.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 110.267 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -42.38 94.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.234 -0.916 . . . . 0.0 110.2 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.88 -47.5 92.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.254 -0.904 . . . . 0.0 108.938 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.83 -45.52 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.076 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 110.299 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.0 m -96.06 -20.98 18.25 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.919 -1.113 . . . . 0.0 110.246 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.37 139.92 56.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.932 -1.105 . . . . 0.0 108.739 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -72.77 -39.92 66.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.245 -0.909 . . . . 0.0 111.053 -178.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -70.06 -40.02 75.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.919 -1.113 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.4 7.29 17.19 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.758 -1.214 . . . . 0.0 109.378 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -75.17 -67.64 0.63 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.342 -0.849 . . . . 0.0 109.898 -179.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -86.81 132.19 33.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.95 -11.4 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 109.125 179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.07 -172.92 35.87 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -85.08 118.88 24.9 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -1.173 . . . . 0.0 108.913 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.03 94.53 5.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.271 -0.893 . . . . 0.0 110.217 -179.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.3 ptm -82.53 -102.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.031 -1.043 . . . . 0.0 109.138 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -149.68 156.42 41.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.303 -0.873 . . . . 0.0 109.045 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.92 135.95 2.13 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -159.25 122.44 3.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -1.231 . . . . 0.0 109.969 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.63 128.37 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.419 -0.801 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.358 179.915 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.548 0.689 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 88.8 mt -103.82 142.81 33.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.628 -0.67 . . . . 0.0 110.243 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.4 m-20 -59.97 -38.44 82.54 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.114 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -13.24 0.33 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' ASP . 50.9 mt -60.79 -40.27 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -1.141 . . . . 0.0 108.54 178.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -40.06 88.22 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.62 -39.1 92.73 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.1 76.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.408 -0.807 . . . . 0.0 109.573 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -40.5 89.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.046 -1.034 . . . . 0.0 108.926 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.0 -40.11 94.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.375 -0.828 . . . . 0.0 110.013 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -93.69 5.93 50.02 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.253 -0.904 . . . . 0.0 110.609 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.13 -44.23 42.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -36.19 82.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -178.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.97 -14.87 46.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.972 -1.08 . . . . 0.0 109.531 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 58.73 -131.98 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.845 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -86.85 -0.63 56.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 110.058 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.0 78.53 6.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 109.421 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.515 ' CZ2' ' NE ' ' B' ' 20' ' ' ARG . 64.4 p-90 -71.42 -20.79 62.07 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.235 -0.916 . . . . 0.0 109.323 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.515 ' NE ' ' CZ2' ' B' ' 19' ' ' TRP . 28.5 mmt180 -61.44 -40.17 93.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.925 . . . . 0.0 109.561 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.01 94.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttm -60.06 -49.93 75.71 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.401 -0.812 . . . . 0.0 109.24 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.55 -39.97 85.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.112 -0.992 . . . . 0.0 108.697 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 30.9 t -66.86 -37.36 84.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.726 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -70.0 -46.56 64.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 110.018 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -95.65 -0.9 51.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.372 -0.83 . . . . 0.0 109.887 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.5 m120 52.11 49.44 20.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.168 -0.958 . . . . 0.0 110.486 179.167 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -118.07 151.73 49.44 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.32 -0.862 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.43 159.54 10.49 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.631 1.554 . . . . 0.0 110.63 177.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.66 -19.96 40.12 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.331 2.021 . . . . 0.0 112.137 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -50.1 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.97 -179.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.41 -44.53 71.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.739 -1.226 . . . . 0.0 110.567 -178.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.65 71.6 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.797 -1.189 . . . . 0.0 109.681 -179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -60.34 -39.95 88.96 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 0.0 110.271 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.01 -42.45 94.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.231 -0.918 . . . . 0.0 110.053 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -61.8 -47.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.179 -0.951 . . . . 0.0 108.985 -179.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.95 -45.4 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.181 -0.949 . . . . 0.0 109.009 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -63.25 -26.4 68.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.624 -0.673 . . . . 0.0 110.249 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -96.12 -20.96 18.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.988 -1.07 . . . . 0.0 110.28 -179.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.31 139.89 56.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.889 -1.132 . . . . 0.0 108.763 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.66 -40.04 66.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.189 -0.944 . . . . 0.0 111.071 -178.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.959 -1.088 . . . . 0.0 110.908 -178.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -83.43 6.96 18.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.83 -1.169 . . . . 0.0 109.293 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -74.98 -67.17 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.164 -0.96 . . . . 0.0 109.938 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -87.08 132.17 33.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 109.363 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -80.08 -11.35 59.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.96 -1.088 . . . . 0.0 109.091 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.95 -173.11 35.81 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -85.03 119.15 25.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -1.185 . . . . 0.0 108.837 179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.16 94.62 5.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.927 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ptm -82.73 -101.39 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.989 -1.069 . . . . 0.0 109.259 179.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -149.97 156.5 41.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.22 -0.925 . . . . 0.0 108.951 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.91 135.9 2.13 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -159.2 122.65 3.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.267 . . . . 0.0 109.876 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.78 128.45 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.376 -0.827 . . . . 0.0 109.233 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.436 179.911 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.35 143.12 30.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.415 -0.803 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.12 -39.96 88.1 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.007 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.59 -10.88 0.42 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ASP . 51.4 mt -60.16 -38.61 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -1.153 . . . . 0.0 108.805 178.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.5 -38.91 85.85 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.45 76.81 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.472 -0.768 . . . . 0.0 110.233 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.93 -42.99 95.18 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.942 -1.099 . . . . 0.0 109.13 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.89 -38.73 89.43 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.502 -0.749 . . . . 0.0 109.914 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -93.55 5.74 50.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 110.726 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -49.31 -42.4 41.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 109.079 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.85 -36.93 80.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.395 -0.816 . . . . 0.0 110.024 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.882 . . . . 0.0 110.1 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -87.96 -12.35 44.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.912 -1.117 . . . . 0.0 108.656 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.49 -137.33 0.86 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.407 0.622 . . . . 0.0 110.442 179.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.3 p -81.3 -8.61 59.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.398 -0.814 . . . . 0.0 110.123 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.67 76.3 6.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 109.527 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -70.25 -23.31 62.88 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.243 -0.911 . . . . 0.0 109.334 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.38 -41.29 93.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.049 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.34 89.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.024 -1.047 . . . . 0.0 108.481 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.5 ttp -62.94 -45.32 93.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.418 -0.801 . . . . 0.0 109.303 179.258 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -57.44 -39.97 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.997 -1.064 . . . . 0.0 109.124 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 t -68.34 -35.73 78.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -0.763 . . . . 0.0 109.692 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -69.4 -42.95 74.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.325 -0.86 . . . . 0.0 109.706 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.61 -0.4 54.5 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.513 -0.742 . . . . 0.0 109.461 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' ALA . 10.0 m120 52.39 49.94 19.4 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.247 -0.908 . . . . 0.0 110.495 179.217 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 mt -120.93 151.47 54.95 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.45 161.26 46.65 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.338 2.025 . . . . 0.0 111.89 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.0 -24.52 25.06 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.857 2.371 . . . . 0.0 112.45 -179.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.99 -50.03 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.969 -1.082 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.0 -43.6 51.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.054 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.51 69.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.895 . . . . 0.0 109.716 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.01 -40.08 88.02 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.695 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.94 -40.09 91.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 109.66 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.21 -42.82 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 108.175 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.21 -39.69 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.345 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.7 -21.62 60.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.793 -0.567 . . . . 0.0 110.609 -179.666 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -95.13 -27.44 15.57 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.978 -1.076 . . . . 0.0 110.15 -178.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -60.1 139.9 57.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.97 -1.081 . . . . 0.0 108.586 179.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.49 -33.78 54.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.009 -1.057 . . . . 0.0 110.105 -179.304 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.52 -40.0 70.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 0.0 110.929 -178.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.4 m -81.26 -9.68 59.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.907 -1.121 . . . . 0.0 110.509 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.7 tp-100 -68.96 -59.99 2.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.958 -1.089 . . . . 0.0 109.31 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.64 163.45 14.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.129 -0.982 . . . . 0.0 108.868 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.82 -9.88 59.71 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.213 -0.929 . . . . 0.0 108.942 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.34 -34.82 3.86 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 50' ' ' MET . 68.0 mm-40 -79.88 -40.0 29.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -1.134 . . . . 0.0 109.517 179.74 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.76 -83.98 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.036 0.446 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.617 ' N ' ' O ' ' A' ' 48' ' ' GLU . 45.6 ttm -75.55 126.41 30.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.113 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 54' ' ' VAL . 12.1 t60 -158.11 151.74 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 0.0 108.721 179.17 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.7 68.96 0.25 Allowed Glycine 0 N--CA 1.495 2.585 0 C-N-CA 119.468 -1.348 . . . . 0.0 110.427 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -161.28 -57.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -1.157 . . . . 0.0 109.484 179.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG12 ' NE2' ' A' ' 51' ' ' HIS . 12.8 p -96.03 -18.73 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.913 -1.042 . . . . 0.0 109.518 179.804 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -100.74 142.79 31.73 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.12 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.8 m-20 -60.02 -39.86 87.33 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.151 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 -11.29 0.41 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' B' ' 3' ' ' ASP . 51.3 mt -59.99 -38.63 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -1.133 . . . . 0.0 108.736 179.106 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.013 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -60.66 -38.67 85.64 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.82 -36.55 77.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.504 -0.748 . . . . 0.0 110.25 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -59.98 -43.11 95.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.915 -1.116 . . . . 0.0 109.026 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.78 -38.36 87.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -93.99 6.36 48.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.281 -0.887 . . . . 0.0 110.765 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -49.69 -42.35 45.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.819 -1.176 . . . . 0.0 109.132 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.0 -36.81 80.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.922 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 0.0 110.158 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.88 -12.48 44.68 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 108.715 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 m80 58.66 -137.31 0.85 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.684 -0.635 . . . . 0.0 110.377 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.4 p -81.48 -8.47 59.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.75 76.14 6.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.607 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -70.24 -22.96 62.84 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.61 -41.05 93.99 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.881 . . . . 0.0 109.957 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.19 88.41 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.431 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.15 -45.27 92.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.387 -0.821 . . . . 0.0 109.194 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.28 -40.17 77.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.04 -1.038 . . . . 0.0 109.196 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.32 -35.54 77.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.798 . . . . 0.0 109.645 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -69.39 -43.05 74.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -94.74 -0.15 54.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.566 -0.709 . . . . 0.0 109.532 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 23' ' ' ALA . 9.9 m120 52.14 50.01 19.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.221 -0.924 . . . . 0.0 110.401 179.212 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -120.97 151.28 54.79 Favored Pre-proline 0 N--CA 1.504 2.248 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.22 160.97 47.72 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.397 2.064 . . . . 0.0 111.91 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.88 -24.47 24.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.802 2.335 . . . . 0.0 112.499 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.93 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.921 -1.112 . . . . 0.0 109.428 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.1 -43.79 50.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.49 69.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.237 -0.914 . . . . 0.0 109.694 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.93 -40.02 87.47 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.793 179.108 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.13 -40.03 92.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 109.661 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.02 -42.87 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.127 . . . . 0.0 108.129 179.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.49 -39.45 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.9 -21.44 61.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.796 -0.565 . . . . 0.0 110.574 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -95.35 -27.46 15.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.865 -1.147 . . . . 0.0 110.165 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 t -60.03 139.79 57.23 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.991 -1.068 . . . . 0.0 108.54 179.387 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -77.44 -33.76 54.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 0.0 110.178 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.48 -40.1 70.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.924 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 70.0 m -81.1 -9.46 59.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.932 -1.105 . . . . 0.0 110.555 -179.33 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -69.14 -60.16 2.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.831 -1.168 . . . . 0.0 109.397 -179.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.45 163.14 14.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 108.862 178.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -79.32 -10.02 59.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.238 -0.914 . . . . 0.0 109.055 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.15 -34.39 3.97 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' B' ' 50' ' ' MET . 67.8 mm-40 -80.37 -39.98 27.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.434 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 40.75 -84.18 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 122.045 -0.409 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.616 ' N ' ' O ' ' B' ' 48' ' ' GLU . 45.7 ttm -75.12 126.9 31.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.079 -1.013 . . . . 0.0 110.086 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' B' ' 54' ' ' VAL . 12.0 t60 -158.53 151.46 22.43 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.73 68.91 0.25 Allowed Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.452 -1.356 . . . . 0.0 110.33 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -161.09 -57.17 0.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.268 -1.137 . . . . 0.0 109.425 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.441 HG12 ' NE2' ' B' ' 51' ' ' HIS . 12.8 p -96.08 -18.21 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 -179.827 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.065 -1.022 . . . . 0.0 109.383 179.841 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.18 138.25 36.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.772 . . . . 0.0 111.054 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 5' ' ' ILE . 85.1 m-20 -59.92 -39.05 84.13 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.64 -11.73 0.17 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' ASP . 47.4 mt -60.0 -32.28 49.73 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.426 -1.043 . . . . 0.0 108.343 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.84 -39.36 84.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.87 -39.7 95.24 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -38.71 82.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -42.14 93.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.916 -1.115 . . . . 0.0 109.208 -179.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.39 -40.03 89.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.407 -0.808 . . . . 0.0 110.13 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.24 0.86 57.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.885 . . . . 0.0 110.106 -178.62 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.0 t -49.67 -43.32 47.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 109.144 179.564 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.49 -40.06 89.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.427 -0.796 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 53.8 tptt -61.11 -39.91 91.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.888 . . . . 0.0 109.842 -179.103 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -87.31 -13.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.867 -1.146 . . . . 0.0 109.029 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 26.8 m80 58.99 -138.5 0.77 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.503 -0.748 . . . . 0.0 110.298 179.197 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -82.12 -3.79 55.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 110.395 -179.171 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.09 76.97 5.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.799 -1.188 . . . . 0.0 109.217 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.69 -26.08 63.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.382 -0.824 . . . . 0.0 109.513 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.12 -41.23 92.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -0.854 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.65 80.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.311 -0.868 . . . . 0.0 109.262 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.9 ttp -61.68 -41.51 97.65 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 0.0 109.601 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.07 82.58 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.076 . . . . 0.0 109.424 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.0 m -65.17 -40.1 93.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.404 -0.81 . . . . 0.0 110.282 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.09 -39.91 75.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.068 -1.02 . . . . 0.0 110.918 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -94.46 -0.55 54.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 m120 51.6 50.04 19.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.444 178.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.13 151.71 45.96 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.496 -0.752 . . . . 0.0 109.342 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.3 Cg_endo -73.34 149.04 44.46 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.82 1.68 . . . . 0.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.96 -22.91 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.114 1.876 . . . . 0.0 112.61 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.26 -54.87 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.077 -1.015 . . . . 0.0 110.188 -179.322 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -72.86 -41.16 61.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.025 -1.047 . . . . 0.0 110.058 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.69 68.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.095 -1.003 . . . . 0.0 109.467 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -60.26 -39.85 88.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.147 -0.97 . . . . 0.0 109.261 178.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.13 -39.99 94.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 0.0 110.346 -179.282 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.43 -40.02 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 179.68 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.62 -40.12 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' C ' HE22 ' A' ' 44' ' ' GLN . . . -60.51 -16.69 39.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.839 -0.538 . . . . 0.0 110.27 -179.826 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -95.7 -38.26 10.43 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.012 -1.055 . . . . 0.0 109.974 -179.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.55 135.37 57.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.083 -1.011 . . . . 0.0 109.02 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -78.17 -36.02 48.07 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.15 -0.969 . . . . 0.0 110.886 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -70.11 -40.13 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.151 -0.968 . . . . 0.0 110.891 -178.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.7 m -81.99 -8.44 59.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.905 -1.122 . . . . 0.0 109.924 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 7.8 tp-100 -69.16 -59.86 2.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.643 -179.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.02 153.17 22.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.474 -0.766 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -77.82 -8.48 58.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.219 -0.926 . . . . 0.0 108.799 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.92 -29.41 9.33 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.315 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 50' ' ' MET . 20.6 pt-20 -84.03 -0.59 52.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.984 -1.303 . . . . 0.0 109.12 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 38.01 -89.91 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 121.204 0.526 . . . . 0.0 110.367 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' GLU . 1.3 tpt -82.06 -76.0 0.28 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.503 -0.748 . . . . 0.0 109.11 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -156.64 42.37 0.36 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 0.0 110.225 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.31 -154.92 52.9 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.34 129.32 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.139 -1.212 . . . . 0.0 109.3 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 m -99.65 136.92 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.353 -0.842 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.392 -179.762 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.5 mt -99.16 138.16 36.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.53 -0.731 . . . . 0.0 110.976 -178.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' B' ' 5' ' ' ILE . 85.1 m-20 -60.11 -38.78 84.0 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.533 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.88 -11.63 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.191 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' ASP . 47.9 mt -60.02 -32.08 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.34 -1.094 . . . . 0.0 108.361 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.95 -39.2 84.75 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.661 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.91 -39.89 95.92 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.81 81.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.407 -0.808 . . . . 0.0 110.265 -179.414 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.04 -42.2 93.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.034 -1.041 . . . . 0.0 109.192 -179.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.47 -40.01 89.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -0.765 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.14 0.81 56.98 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.21 -0.931 . . . . 0.0 110.185 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -49.62 -43.32 46.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 109.168 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -60.53 -40.07 90.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.556 -0.715 . . . . 0.0 109.554 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.434 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 53.8 tptt -60.75 -40.18 91.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.377 -0.827 . . . . 0.0 109.771 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -87.21 -13.57 43.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.897 -1.127 . . . . 0.0 109.005 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 27.0 m80 59.24 -138.2 0.76 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.561 -0.712 . . . . 0.0 110.437 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 t -82.43 -3.81 56.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.281 -179.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -79.0 77.05 5.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.915 -1.116 . . . . 0.0 109.203 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -70.75 -26.44 63.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.417 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -41.08 91.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.226 -0.921 . . . . 0.0 109.935 -179.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -45.89 79.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.211 -0.93 . . . . 0.0 109.121 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -61.57 -41.59 97.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.372 -0.83 . . . . 0.0 109.606 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.032 -1.043 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -65.2 -40.01 93.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.343 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -70.0 -40.25 75.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.063 -1.023 . . . . 0.0 110.736 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.37 -0.23 55.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.003 -1.061 . . . . 0.0 109.443 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 m120 51.33 50.2 19.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 0.0 110.385 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -115.09 151.67 45.88 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.485 -0.759 . . . . 0.0 109.312 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 60.1 Cg_endo -73.33 149.03 44.48 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.88 1.72 . . . . 0.0 110.966 178.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.98 -22.64 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.96 1.773 . . . . 0.0 112.612 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -59.7 -54.89 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.943 -1.098 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.72 -40.84 61.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.84 -1.163 . . . . 0.0 110.002 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.78 68.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.086 -1.009 . . . . 0.0 109.433 -179.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.188 -0.945 . . . . 0.0 109.408 178.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -61.96 -39.96 93.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.92 . . . . 0.0 110.341 -179.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.36 -40.16 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.64 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.5 -16.6 38.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.78 -0.575 . . . . 0.0 110.323 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -95.75 -38.36 10.37 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.013 -1.055 . . . . 0.0 109.885 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -60.47 135.31 57.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.102 -0.999 . . . . 0.0 109.21 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.23 -35.85 47.84 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.18 -0.95 . . . . 0.0 110.837 -179.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -70.26 -40.1 74.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.16 -0.963 . . . . 0.0 110.891 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -81.91 -8.46 59.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.865 -1.147 . . . . 0.0 109.927 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.528 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 63.4 tp60 -69.14 -59.45 3.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -1.0 . . . . 0.0 109.699 -179.355 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.23 153.22 22.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.37 -0.831 . . . . 0.0 109.46 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -78.02 -8.08 57.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 108.792 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.52 -29.44 9.03 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.343 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 50' ' ' MET . 20.7 pt-20 -84.05 -0.61 52.45 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.354 . . . . 0.0 109.153 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 37.99 -90.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.306 0.574 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.554 ' N ' ' O ' ' B' ' 48' ' ' GLU . 1.3 tpt -81.83 -76.01 0.27 Allowed 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.368 -0.833 . . . . 0.0 109.346 179.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -156.7 42.45 0.36 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.225 -0.922 . . . . 0.0 110.369 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.17 -154.92 52.85 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.21 129.63 34.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.372 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 m -99.77 136.79 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.338 -0.851 . . . . 0.0 109.31 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.501 -179.743 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.6 141.58 35.18 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.688 0.756 . . . . 0.0 111.297 -178.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 5' ' ' ILE . 98.5 m-20 -60.09 -39.98 88.02 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.703 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.28 -13.17 0.22 Allowed Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' ASP . 45.1 mt -60.01 -35.54 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.36 -1.082 . . . . 0.0 108.403 178.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.93 -38.06 81.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.86 -40.11 94.22 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.289 -0.882 . . . . 0.0 108.985 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.47 78.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.427 -0.796 . . . . 0.0 109.757 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.03 -40.83 90.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.965 . . . . 0.0 109.575 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.96 89.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.987 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -98.22 9.81 42.08 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.21 -0.931 . . . . 0.0 110.439 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.56 -42.29 33.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.795 -1.191 . . . . 0.0 109.695 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 77.9 mm-40 -60.92 -35.49 76.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 0.0 109.731 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -60.09 -37.52 80.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.165 -179.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.55 31.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.86 -1.15 . . . . 0.0 109.687 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 75.8 m-70 58.06 -134.07 1.1 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.345 -0.847 . . . . 0.0 110.012 179.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -82.4 -7.1 59.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.334 -0.854 . . . . 0.0 110.053 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 109.323 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -69.95 -25.1 63.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 0.0 109.473 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.19 89.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.268 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.87 89.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 109.017 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.9 ttp -60.61 -44.01 96.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.658 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.97 -40.58 89.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 109.448 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -66.65 -37.82 85.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.82 -42.84 76.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.52 -179.021 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -94.77 -2.49 50.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.49 -0.757 . . . . 0.0 109.307 179.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' ALA . 29.6 m120 52.55 49.98 19.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.843 . . . . 0.0 110.636 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -118.06 152.49 50.44 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.501 -0.75 . . . . 0.0 109.196 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.85 160.98 47.68 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.316 2.01 . . . . 0.0 111.5 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.29 -21.5 29.26 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.476 2.117 . . . . 0.0 111.768 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -49.99 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 109.63 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.8 t -75.15 -44.27 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 110.271 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.98 83.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.46 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.98 -39.89 87.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.021 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.04 -40.02 96.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.45 -0.781 . . . . 0.0 110.199 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.12 -41.53 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.945 -1.097 . . . . 0.0 108.061 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.37 -40.05 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 177.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.61 51.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.615 -0.678 . . . . 0.0 109.511 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -87.02 -48.14 8.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.18 -0.95 . . . . 0.0 108.943 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.1 129.17 40.84 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.3 -30.5 48.4 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.13 -43.26 64.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.127 -0.983 . . . . 0.0 110.999 -178.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.46 -22.62 43.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.731 -1.231 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.95 -49.48 61.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.847 -1.158 . . . . 0.0 110.041 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -85.92 143.68 28.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.159 -0.963 . . . . 0.0 109.043 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.11 104.48 14.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.068 -1.02 . . . . 0.0 110.047 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.98 -121.45 3.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 179.115 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -80.36 -165.26 0.83 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.412 -1.052 . . . . 0.0 108.997 179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.85 57.45 0.31 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.077 -1.014 . . . . 0.0 110.052 -179.764 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 99.59 1.38 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 178.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -86.54 146.95 26.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.326 -0.859 . . . . 0.0 110.311 -179.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.34 11.24 18.15 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -148.22 135.5 20.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.409 -1.054 . . . . 0.0 109.087 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 54' ' ' VAL . 12.1 p -94.28 123.38 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.237 -0.914 . . . . 0.0 109.439 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' VAL . 82.3 m-20 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.128 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.8 mt -102.66 141.57 35.26 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.79 0.805 . . . . 0.0 111.247 -178.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 5' ' ' ILE . 98.5 m-20 -60.07 -40.01 87.99 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.694 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.37 -13.2 0.23 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' B' ' 3' ' ' ASP . 45.0 mt -59.92 -35.6 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.363 -1.08 . . . . 0.0 108.307 178.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.84 -38.11 81.13 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.81 -40.14 94.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 0.0 109.013 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.36 78.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.714 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.01 -41.12 91.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.24 -39.93 88.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -98.33 9.83 42.13 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.295 -0.878 . . . . 0.0 110.433 -178.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -48.52 -42.16 32.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.779 -1.2 . . . . 0.0 109.728 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 77.8 mm-40 -61.12 -35.29 76.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.22 -37.52 80.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 0.0 110.219 -179.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.58 -20.5 31.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.896 -1.127 . . . . 0.0 109.62 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 75.7 m-70 58.11 -134.05 1.09 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.235 -0.915 . . . . 0.0 109.97 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.2 t -82.37 -7.12 59.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.02 70.78 6.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.019 -1.051 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.02 -25.04 63.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -40.05 89.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 110.271 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.79 89.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.136 -0.978 . . . . 0.0 109.058 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.1 ttp -60.65 -44.02 96.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.429 -0.794 . . . . 0.0 109.674 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.99 -40.54 89.54 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.097 -1.002 . . . . 0.0 109.358 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -66.72 -37.79 85.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.865 . . . . 0.0 110.185 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.84 -42.81 76.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 109.508 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -94.81 -2.6 50.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.309 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 23' ' ' ALA . 29.5 m120 52.62 50.03 19.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.55 179.214 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.6 mt -117.96 152.53 50.34 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.451 -0.781 . . . . 0.0 109.205 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.94 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 122.377 2.051 . . . . 0.0 111.439 179.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.13 -21.67 28.71 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.464 2.11 . . . . 0.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.76 -50.02 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 109.541 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.23 -44.42 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 0.0 110.287 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.75 84.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.07 -1.019 . . . . 0.0 109.561 -179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.11 -39.95 87.97 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.154 -0.966 . . . . 0.0 108.957 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.05 -39.98 96.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.438 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.1 -41.64 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 108.017 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.36 -40.04 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.46 -19.76 50.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 0.0 109.592 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -87.08 -48.19 8.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -0.926 . . . . 0.0 108.993 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.06 129.0 40.03 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.2 -30.44 48.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.048 -1.032 . . . . 0.0 110.064 -179.157 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -72.28 -43.19 64.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 111.053 -178.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -79.4 -22.62 44.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.832 -1.168 . . . . 0.0 110.645 -179.261 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -68.15 -49.26 62.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.863 -1.148 . . . . 0.0 110.089 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.86 143.69 28.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.08 -1.013 . . . . 0.0 109.079 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -84.12 104.58 14.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.116 -0.99 . . . . 0.0 110.059 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.98 -121.64 3.84 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -80.34 -165.12 0.8 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.41 -1.053 . . . . 0.0 109.016 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.87 57.07 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.57 98.92 1.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -85.5 147.17 26.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.384 -0.822 . . . . 0.0 110.451 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.63 11.23 20.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -148.3 135.59 20.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.354 -1.086 . . . . 0.0 109.11 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.518 ' O ' HG13 ' B' ' 54' ' ' VAL . 12.0 p -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.305 -0.872 . . . . 0.0 109.426 -179.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' B' ' 54' ' ' VAL . 82.6 m-20 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.037 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -101.8 144.94 29.84 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.422 0.629 . . . . 0.0 110.479 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.7 m-20 -60.1 -39.42 86.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.62 -15.0 0.13 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 60.4 mt -60.81 -41.71 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.273 -1.133 . . . . 0.0 109.107 179.259 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -62.4 -39.99 95.05 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 60.9 tttp -63.96 -38.03 89.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.617 -0.677 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.94 73.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 110.299 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.002 -1.061 . . . . 0.0 110.455 -178.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' LYS . 52.9 mp0 -99.8 11.73 38.5 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.006 -1.059 . . . . 0.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.7 -40.33 27.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.885 -1.134 . . . . 0.0 109.7 179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.13 -39.85 87.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 109.908 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.5 -35.27 77.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.896 . . . . 0.0 110.119 -178.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.75 -16.07 37.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.879 -1.138 . . . . 0.0 109.185 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 58.38 -138.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.292 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -82.47 -6.61 59.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 80.48 4.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.039 -1.038 . . . . 0.0 109.743 -179.467 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.79 63.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.395 -0.816 . . . . 0.0 109.004 179.31 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.17 -39.93 88.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.395 -0.815 . . . . 0.0 109.354 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.503 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.7 ttm -60.12 -46.62 89.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.356 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.89 . . . . 0.0 109.746 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 40.5 t -67.06 -35.06 79.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.309 -0.869 . . . . 0.0 109.81 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -69.97 -44.77 68.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.925 . . . . 0.0 109.741 -179.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -96.28 -0.08 50.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.74 . . . . 0.0 109.82 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.0 m120 53.06 45.28 29.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 110.532 179.154 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 31.4 mt -114.23 150.92 44.48 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.176 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' VAL . 57.6 Cg_endo -70.79 152.72 64.22 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.923 1.749 . . . . 0.0 111.594 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -40.64 -19.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.354 2.036 . . . . 0.0 112.75 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.1 t -59.93 -50.11 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.091 -1.005 . . . . 0.0 110.623 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.01 -43.46 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 110.94 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.2 82.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.866 -1.146 . . . . 0.0 109.217 -179.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -59.95 -40.1 87.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.172 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -61.42 -40.43 94.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.386 -0.821 . . . . 0.0 110.18 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.5 mt -62.87 -40.49 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.971 -1.081 . . . . 0.0 108.734 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.52 -40.04 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.168 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.12 -16.4 7.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.694 -0.629 . . . . 0.0 109.568 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -93.88 -46.82 7.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.082 -1.011 . . . . 0.0 108.901 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.87 126.18 26.61 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.695 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.99 -22.01 46.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 0.0 109.743 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -76.91 -47.04 22.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 0.0 110.329 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.2 m -79.04 -29.98 43.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.247 -179.451 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -70.57 -59.85 2.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.014 -1.054 . . . . 0.0 110.461 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.13 125.3 33.39 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.238 -0.913 . . . . 0.0 109.657 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -81.95 -9.37 59.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -0.879 . . . . 0.0 109.234 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.47 47.92 5.23 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -89.81 92.69 9.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.226 -1.161 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -77.55 -169.11 1.34 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.1 -1.0 . . . . 0.0 109.916 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' ALA . 53.9 ttp 55.9 159.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.52 0.676 . . . . 0.0 109.803 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -84.82 143.52 29.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.107 -0.995 . . . . 0.0 109.347 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -80.75 0.78 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -148.38 33.78 0.8 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -1.054 . . . . 0.0 108.389 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -95.42 -21.81 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.393 -0.817 . . . . 0.0 109.986 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.018 -1.051 . . . . 0.0 109.406 179.767 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.89 144.98 29.86 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.482 0.658 . . . . 0.0 110.524 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.9 m-20 -59.86 -39.94 86.93 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.22 -15.03 0.11 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' ASP . 59.6 mt -60.93 -41.71 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.315 -1.109 . . . . 0.0 109.021 179.241 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.31 -40.06 95.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.22 -0.925 . . . . 0.0 108.534 178.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' ' OE1' ' B' ' 11' ' ' GLU . 60.9 tttp -63.8 -38.1 89.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.643 -0.66 . . . . 0.0 109.505 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.91 73.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.06 -39.98 87.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.0 110.189 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.05 -40.03 88.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.977 -1.077 . . . . 0.0 110.52 -178.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 7' ' ' LYS . 53.0 mp0 -99.83 11.88 38.14 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.041 -1.037 . . . . 0.0 111.042 -179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -48.9 -40.35 29.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.859 -1.151 . . . . 0.0 109.765 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -39.79 87.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.998 -179.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -35.22 77.39 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.176 -0.953 . . . . 0.0 109.997 -178.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.62 -15.98 38.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.794 -1.191 . . . . 0.0 109.236 179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 58.29 -138.22 0.85 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.47 -0.769 . . . . 0.0 110.349 179.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.0 p -82.65 -6.68 59.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.603 -0.686 . . . . 0.0 110.302 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.97 80.41 4.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.0 109.765 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -70.0 -21.71 63.19 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.352 -0.842 . . . . 0.0 109.007 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.26 -40.15 89.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.256 -0.902 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.62 91.5 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.499 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.7 ttm -60.01 -46.69 88.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.866 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.92 -39.99 87.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 0.0 109.743 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 40.5 t -67.37 -34.97 78.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -70.0 -44.87 68.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.216 -0.928 . . . . 0.0 109.698 -179.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -96.29 0.08 50.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.482 -0.761 . . . . 0.0 109.904 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' ALA . 8.1 m120 53.12 45.18 29.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -0.852 . . . . 0.0 110.528 179.032 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 31.0 mt -114.03 150.91 44.32 Favored Pre-proline 0 N--CA 1.503 2.176 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.6 Cg_endo -70.82 152.88 64.19 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.859 1.706 . . . . 0.0 111.547 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.68 -20.18 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.336 2.024 . . . . 0.0 112.922 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.93 -49.92 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.048 -1.033 . . . . 0.0 110.414 -178.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.21 -43.46 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -178.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.04 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.892 -1.13 . . . . 0.0 109.252 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.306 -0.871 . . . . 0.0 109.163 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.56 -40.23 93.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.5 -0.75 . . . . 0.0 110.376 -179.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.499 HD12 ' SD ' ' B' ' 22' ' ' MET . 96.6 mt -62.93 -40.22 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.066 -1.021 . . . . 0.0 108.635 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.7 -39.99 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.01 7.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.667 -0.646 . . . . 0.0 109.612 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -94.03 -46.93 6.92 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.022 -1.049 . . . . 0.0 108.895 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -58.71 126.15 26.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 108.811 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -78.97 -21.98 46.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.001 . . . . 0.0 109.678 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.89 -46.84 23.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 110.423 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -79.15 -30.06 43.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -0.95 . . . . 0.0 110.25 -179.544 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -70.41 -59.85 2.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.983 -1.073 . . . . 0.0 110.422 -179.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -86.1 125.35 33.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -81.93 -9.65 59.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.183 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.69 48.26 5.04 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -90.06 92.71 9.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.322 -1.105 . . . . 0.0 110.516 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -77.62 -169.28 1.42 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.279 -0.888 . . . . 0.0 109.853 179.417 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.469 ' O ' ' O ' ' B' ' 49' ' ' ALA . 53.7 ttp 55.82 159.46 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.826 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -84.06 143.77 29.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.391 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.71 -80.9 0.78 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.657 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -148.44 33.9 0.79 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.58 -21.67 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.446 -0.784 . . . . 0.0 109.831 -179.642 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.066 -1.021 . . . . 0.0 109.509 179.773 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -100.04 140.63 33.99 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.767 0.794 . . . . 0.0 111.028 -178.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 91.4 m-20 -60.05 -38.01 81.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.35 -13.01 0.21 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.027 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 58.4 mt -60.61 -39.72 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.372 -1.075 . . . . 0.0 108.999 178.885 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.096 -1.002 . . . . 0.0 108.501 179.36 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -61.56 -39.25 90.42 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.526 -0.734 . . . . 0.0 109.337 179.574 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 -38.38 74.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.153 -0.967 . . . . 0.0 109.586 -179.311 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.0 -42.53 94.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.126 -0.983 . . . . 0.0 109.103 -179.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.44 -39.95 95.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.528 -0.732 . . . . 0.0 110.073 -179.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -94.56 6.8 47.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.307 -0.871 . . . . 0.0 110.237 -178.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -51.07 -34.3 29.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.092 -1.005 . . . . 0.0 109.396 179.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 81.2 mm-40 -60.07 -37.82 81.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 0.0 109.827 -179.193 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.07 -35.72 81.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.096 -1.002 . . . . 0.0 109.947 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -86.82 -20.02 28.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.925 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 30.1 m-70 59.37 -136.73 0.79 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 0.0 110.011 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -86.07 -2.9 58.75 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.272 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -80.48 82.31 6.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.802 -1.186 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -70.7 -19.16 62.79 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.053 -1.029 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.45 HH11 ' HG3' ' A' ' 20' ' ' ARG . 19.0 mmm-85 -60.74 -48.01 83.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.945 . . . . 0.0 109.523 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.65 99.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.182 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.33 89.92 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.93 -42.33 93.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.85 -1.157 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 m -64.85 -40.03 94.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.0 110.435 -179.346 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -69.96 -40.18 75.58 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 110.513 -179.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -92.62 -1.33 56.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.108 -0.995 . . . . 0.0 108.891 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.6 m120 50.97 49.47 21.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.417 -0.802 . . . . 0.0 110.234 179.418 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 mt -116.89 151.74 47.76 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.548 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.46 152.37 43.56 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.133 1.889 . . . . 0.0 111.748 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -41.0 -26.24 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.495 2.13 . . . . 0.0 113.297 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.89 -50.43 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.886 -1.134 . . . . 0.0 110.347 -178.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -74.3 -41.84 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.105 -0.997 . . . . 0.0 109.702 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.23 86.74 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.309 -0.869 . . . . 0.0 108.818 -179.737 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.369 -0.832 . . . . 0.0 108.975 178.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -64.22 -40.56 96.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.04 -42.77 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.885 -1.134 . . . . 0.0 108.215 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.7 t -65.16 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HA ' HE22 ' A' ' 44' ' ' GLN . . . -61.41 -27.37 68.49 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.643 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 m -88.08 -36.62 16.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 109.7 -178.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.17 129.65 42.95 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.98 -27.57 54.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.065 -1.022 . . . . 0.0 110.152 -179.136 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.01 -40.14 68.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.011 -1.056 . . . . 0.0 110.112 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -86.94 1.33 53.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 109.907 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.563 HE22 ' HA ' ' A' ' 38' ' ' ALA . 6.4 tp-100 -78.2 -70.04 0.51 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -0.999 . . . . 0.0 109.681 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -83.43 129.79 35.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 109.482 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 48' ' ' GLU . 58.9 mttp -79.27 159.86 27.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.0 109.28 179.469 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.16 2.88 0.58 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 46' ' ' LYS . 99.0 mt-10 -82.63 147.54 28.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -1.232 . . . . 0.0 109.24 179.775 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.67 167.76 9.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.771 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ttt 66.06 21.42 11.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 109.937 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -85.71 106.39 16.94 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.894 -1.129 . . . . 0.0 109.38 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.88 86.33 0.14 Allowed Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -79.59 150.63 30.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.189 -1.183 . . . . 0.0 109.38 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 54' ' ' VAL . 16.3 m -92.56 141.54 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.144 -0.973 . . . . 0.0 108.919 179.695 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.298 -179.825 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.06 140.6 34.06 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.81 0.814 . . . . 0.0 110.986 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 90.7 m-20 -60.04 -37.98 81.39 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.33 -12.99 0.2 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.108 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 58.4 mt -60.68 -39.6 82.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -1.096 . . . . 0.0 108.96 178.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.07 -39.29 85.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 108.561 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -61.46 -39.08 89.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.497 -0.752 . . . . 0.0 109.396 179.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.23 74.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 109.592 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.05 -42.37 94.35 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.19 -0.944 . . . . 0.0 109.219 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.68 -39.94 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.534 -0.729 . . . . 0.0 110.009 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -94.65 6.89 47.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 -178.676 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -51.06 -34.46 30.0 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.339 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 81.2 mm-40 -59.98 -37.63 80.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.911 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.25 -35.51 80.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.887 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.96 -20.11 27.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.03 -1.043 . . . . 0.0 109.929 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 30.3 m-70 59.52 -136.68 0.77 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 110.065 179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -86.12 -2.85 58.72 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.0 110.505 -179.351 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.52 82.47 6.53 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.871 -1.143 . . . . 0.0 109.581 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.405 ' CZ2' ' HD2' ' B' ' 20' ' ' ARG . 67.3 p-90 -70.86 -19.15 62.67 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.079 -1.013 . . . . 0.0 109.118 179.694 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' B' ' 20' ' ' ARG . 19.0 mmm-85 -60.64 -48.09 83.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 109.502 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.64 99.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.32 -0.863 . . . . 0.0 109.236 -179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.5 ttp -61.83 -46.59 88.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.182 -0.949 . . . . 0.0 109.751 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.65 -42.41 92.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.843 -1.161 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 62.3 m -64.79 -39.97 94.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.144 -0.973 . . . . 0.0 110.469 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -70.12 -39.96 75.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.995 -1.066 . . . . 0.0 110.535 -179.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -92.67 -1.31 56.96 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.028 -1.045 . . . . 0.0 108.908 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 23' ' ' ALA . 24.7 m120 51.01 49.42 21.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.415 -0.803 . . . . 0.0 110.143 179.331 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.94 151.69 47.74 Favored Pre-proline 0 N--CA 1.502 2.144 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.38 152.51 44.18 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.028 1.819 . . . . 0.0 111.744 179.524 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -41.0 -26.34 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.524 2.149 . . . . 0.0 113.42 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -50.2 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.81 -1.181 . . . . 0.0 110.313 -178.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.4 -41.88 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.09 -1.006 . . . . 0.0 109.759 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.39 86.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.268 -0.895 . . . . 0.0 108.824 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.894 . . . . 0.0 108.874 178.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.25 -40.53 96.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.447 -0.783 . . . . 0.0 110.474 -179.309 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.01 -42.66 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.995 -1.066 . . . . 0.0 108.29 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.22 -40.01 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.156 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.426 ' O ' ' OE1' ' B' ' 44' ' ' GLN . . . -61.25 -27.21 68.29 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.675 -179.753 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.7 m -88.15 -36.86 16.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.977 -1.077 . . . . 0.0 109.45 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.11 129.84 43.82 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.158 -0.964 . . . . 0.0 108.475 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.16 -27.48 53.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.134 -0.979 . . . . 0.0 110.134 -179.094 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -72.08 -40.11 68.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.013 . . . . 0.0 110.107 -179.082 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -86.96 1.04 54.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 0.0 109.942 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' B' ' 38' ' ' ALA . 72.9 tp60 -78.35 -69.97 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.713 -179.566 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -83.1 129.58 35.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.184 -0.947 . . . . 0.0 109.542 -179.882 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' B' ' 48' ' ' GLU . 58.9 mttp -79.23 159.69 27.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.296 179.465 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.07 3.12 0.5 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -179.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' B' ' 46' ' ' LYS . 98.9 mt-10 -82.97 147.45 28.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.071 -1.252 . . . . 0.0 109.304 179.722 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.51 167.9 9.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.123 -0.986 . . . . 0.0 109.943 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.6 ttt 66.0 21.22 11.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.618 -0.676 . . . . 0.0 109.909 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -85.33 106.39 16.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.769 -1.207 . . . . 0.0 109.576 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.88 86.52 0.15 Allowed Glycine 0 N--CA 1.495 2.613 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.61 150.5 31.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.083 -1.245 . . . . 0.0 109.36 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.3 m -92.5 141.56 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.302 -0.874 . . . . 0.0 108.852 179.639 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.285 -179.908 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.9 mt -98.94 140.3 33.31 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.456 0.646 . . . . 0.0 110.707 -178.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 5' ' ' ILE . 8.4 t70 -59.98 -36.63 77.56 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.785 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.58 -13.29 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.481 ' N ' ' C ' ' A' ' 3' ' ' ASP . 59.0 mt -61.98 -41.08 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.467 -1.02 . . . . 0.0 109.174 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -64.1 -39.0 93.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.07 72.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -0.86 . . . . 0.0 109.598 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.03 -41.31 91.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.032 . . . . 0.0 108.783 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.12 -35.68 81.1 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.498 -0.751 . . . . 0.0 109.379 179.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.96 2.82 56.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 110.523 -178.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.57 -41.37 30.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.983 -1.073 . . . . 0.0 109.629 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mt-10 -59.98 -39.05 84.34 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.349 -0.844 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -60.07 -39.23 85.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.505 -0.747 . . . . 0.0 109.964 -178.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.32 -16.73 36.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.868 -1.145 . . . . 0.0 109.577 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 42.7 m-70 58.82 -133.56 1.0 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 179.029 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -82.84 -9.24 59.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 -179.34 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.42 79.66 7.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.969 -1.082 . . . . 0.0 110.083 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -70.18 -23.32 62.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.271 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -40.37 92.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.326 -0.859 . . . . 0.0 110.295 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.21 88.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.77 -40.45 97.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.872 . . . . 0.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.15 -39.97 84.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 0.0 109.708 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m -67.26 -36.24 81.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.883 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.84 -43.46 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 109.387 -179.608 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -93.05 -1.96 56.07 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 109.818 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' ALA . 27.1 m120 52.32 50.06 19.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 179.237 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.05 153.72 49.67 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.482 -0.761 . . . . 0.0 109.062 179.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' VAL . 62.2 Cg_endo -74.21 149.96 41.54 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.842 1.694 . . . . 0.0 110.885 178.843 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -40.69 -21.09 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.082 1.855 . . . . 0.0 112.553 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.09 -49.85 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.026 -1.046 . . . . 0.0 110.468 -178.899 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.78 -40.03 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.044 -1.035 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.23 74.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.99 -1.069 . . . . 0.0 109.086 -179.2 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.48 -39.94 89.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.07 -40.06 94.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.386 -0.821 . . . . 0.0 110.285 -179.283 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.34 -41.27 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.033 -1.042 . . . . 0.0 108.442 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -39.94 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.136 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -26.83 65.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.733 -0.604 . . . . 0.0 110.378 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -94.87 -19.88 19.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.915 -1.115 . . . . 0.0 109.092 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 41' ' ' ASP . 14.6 t -60.58 155.02 19.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.306 -0.871 . . . . 0.0 108.909 179.002 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 90.8 m-20 -80.57 -69.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.188 -0.945 . . . . 0.0 111.506 -178.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -70.7 -37.18 73.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.63 -0.669 . . . . 0.0 112.14 -176.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.09 -24.82 61.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.518 -1.364 . . . . 0.0 111.623 -177.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -41.2 75.21 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.364 -1.46 . . . . 0.0 109.77 -179.194 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.9 mt -88.13 146.12 25.58 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.049 -1.032 . . . . 0.0 109.394 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 68.5 mttm -78.37 145.17 35.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 109.607 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.98 45.37 0.42 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.539 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' LYS . 84.3 tt0 -153.09 160.92 42.98 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.216 -1.167 . . . . 0.0 109.685 -179.336 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.21 -167.73 2.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 109.121 -179.763 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ttt 58.57 37.89 25.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 108.493 -179.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -152.09 160.87 43.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 0.0 109.096 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.76 8.9 79.07 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -78.16 150.28 33.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -1.151 . . . . 0.0 108.801 179.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.4 p -94.93 134.25 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.091 -1.006 . . . . 0.0 110.052 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.315 179.767 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.4 mt -98.92 140.11 33.57 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.413 0.625 . . . . 0.0 110.71 -178.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' B' ' 5' ' ' ILE . 8.3 t70 -59.89 -36.69 77.49 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.53 -13.3 0.46 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 178.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.484 ' N ' ' C ' ' B' ' 3' ' ' ASP . 58.6 mt -62.13 -40.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.448 -1.03 . . . . 0.0 109.167 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.08 -39.92 87.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 108.594 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.28 -38.86 92.56 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.249 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.09 72.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.329 -0.857 . . . . 0.0 109.492 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.9 -41.51 91.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.008 -1.057 . . . . 0.0 108.695 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.93 -35.64 80.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.501 -0.749 . . . . 0.0 109.462 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.0 2.81 56.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.357 -0.84 . . . . 0.0 110.562 -178.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -48.58 -41.18 29.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.902 -1.123 . . . . 0.0 109.63 179.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 93.0 mt-10 -60.12 -39.11 85.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.337 -0.852 . . . . 0.0 109.893 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -60.0 -39.49 85.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.806 . . . . 0.0 109.809 -178.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -86.06 -16.69 37.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.869 -1.145 . . . . 0.0 109.566 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 43.2 m-70 58.81 -133.76 0.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 110.385 178.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.9 t -82.76 -9.39 59.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.428 -0.795 . . . . 0.0 110.211 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.39 79.97 7.89 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.065 -1.022 . . . . 0.0 109.97 -179.606 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.27 -23.19 62.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 0.0 109.255 179.101 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.85 -40.38 92.67 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.343 -0.848 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.185 -0.947 . . . . 0.0 109.602 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.78 -40.23 96.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.323 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.33 -40.25 85.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 -179.863 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.7 m -66.94 -36.21 81.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.321 -0.862 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -69.82 -43.48 71.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.936 . . . . 0.0 109.373 -179.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -93.12 -1.98 55.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.511 -0.743 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.8 m120 52.33 50.02 19.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.499 179.188 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -117.11 153.6 49.73 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.499 -0.751 . . . . 0.0 109.026 179.582 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' B' ' 31' ' ' VAL . 61.8 Cg_endo -74.2 150.03 41.68 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 121.755 1.637 . . . . 0.0 110.91 178.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.61 -21.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.064 1.842 . . . . 0.0 112.507 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.6 t -60.05 -50.09 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.022 -1.049 . . . . 0.0 110.388 -178.839 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.69 -39.95 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.898 -1.126 . . . . 0.0 110.423 -179.029 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.2 74.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.059 . . . . 0.0 109.031 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -60.48 -39.94 89.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 109.709 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -62.01 -40.14 94.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 110.151 -179.219 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.26 -41.13 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.993 -1.067 . . . . 0.0 108.629 -179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.99 -39.89 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.181 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.79 -27.15 66.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.756 -0.59 . . . . 0.0 110.216 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -94.55 -19.7 20.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.008 -1.057 . . . . 0.0 109.063 -179.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' B' ' 41' ' ' ASP . 14.8 t -60.67 154.92 20.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.263 -0.898 . . . . 0.0 108.933 178.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' B' ' 40' ' ' CYS . 91.8 m-20 -80.36 -69.65 0.58 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 111.449 -178.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -70.46 -37.18 74.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.551 -0.718 . . . . 0.0 112.217 -177.033 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.17 -25.02 61.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.583 -1.323 . . . . 0.0 111.642 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -69.6 -41.21 76.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.423 -1.423 . . . . 0.0 109.82 -179.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.2 mt -88.04 145.98 25.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.972 -1.08 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 48' ' ' GLU . 68.5 mttm -78.4 145.23 35.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 109.546 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.05 45.41 0.43 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' B' ' 46' ' ' LYS . 84.0 tt0 -153.14 160.94 42.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -1.175 . . . . 0.0 109.685 -179.359 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.23 -167.74 2.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.826 . . . . 0.0 109.113 -179.698 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.8 ttt 58.44 38.02 25.67 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -152.08 160.84 43.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.386 -0.821 . . . . 0.0 109.133 -179.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.76 8.82 79.2 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -78.03 150.18 33.88 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -1.202 . . . . 0.0 108.779 179.651 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.04 134.26 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.182 -0.949 . . . . 0.0 110.006 -179.122 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.399 179.831 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.608 0.718 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.7 145.96 24.19 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.732 0.777 . . . . 0.0 110.821 -179.392 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ILE . 47.0 t0 -60.04 -39.97 87.75 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.46 -16.52 0.58 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 179.553 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' ASP . 79.3 mt -60.01 -41.46 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.343 -1.092 . . . . 0.0 108.698 179.128 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.04 -40.0 87.88 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.05 -38.89 92.29 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.619 -0.676 . . . . 0.0 109.585 -179.584 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.06 -41.91 93.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.122 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.61 -39.99 93.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -0.864 . . . . 0.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.57 3.51 55.01 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.241 -0.912 . . . . 0.0 110.655 -178.723 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.5 -42.29 43.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.796 -1.19 . . . . 0.0 109.397 -179.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -38.81 84.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.88 . . . . 0.0 109.959 179.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.3 -39.97 88.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.397 -0.814 . . . . 0.0 110.565 -178.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.11 -14.83 45.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.95 -1.094 . . . . 0.0 109.835 -179.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 59.41 -134.09 0.89 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.44 -0.787 . . . . 0.0 110.523 179.437 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -84.31 -1.16 54.9 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.317 -0.864 . . . . 0.0 110.687 -178.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.45 6.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.868 -1.145 . . . . 0.0 109.883 -179.643 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -69.93 -27.73 65.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.97 -41.1 91.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.768 -179.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.88 82.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.952 . . . . 0.0 109.062 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.66 -42.96 99.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 109.474 179.577 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.0 85.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 0.0 109.248 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.33 -38.03 88.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.421 -0.8 . . . . 0.0 109.973 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.96 75.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -95.37 -0.03 53.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.15 -0.969 . . . . 0.0 109.397 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.62 48.5 22.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.368 -0.833 . . . . 0.0 110.066 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 mt -116.34 153.55 48.73 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.453 -0.779 . . . . 0.0 109.206 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 90.6 Cg_endo -76.21 149.92 32.5 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.047 1.832 . . . . 0.0 111.501 178.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -38.31 -22.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.435 2.09 . . . . 0.0 113.024 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -60.0 -52.47 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.767 -1.208 . . . . 0.0 110.338 -179.028 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.5 -39.99 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.125 -0.984 . . . . 0.0 110.089 -179.417 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.3 78.3 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.165 -0.959 . . . . 0.0 108.985 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.68 -39.97 90.4 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 109.322 179.118 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.98 -40.84 96.99 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.495 -0.753 . . . . 0.0 110.662 -179.136 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.33 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.97 -1.081 . . . . 0.0 108.206 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.87 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.172 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -60.51 -20.37 59.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.832 -0.542 . . . . 0.0 110.535 -179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 m -94.44 -38.31 11.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.906 -1.121 . . . . 0.0 109.581 -179.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.91 130.54 47.24 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.43 -31.31 48.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.993 . . . . 0.0 110.794 -179.039 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -70.82 -40.21 72.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.847 -1.158 . . . . 0.0 109.991 -179.143 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.0 m -86.42 6.09 31.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.097 -1.002 . . . . 0.0 109.791 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 10.9 tp-100 -78.28 -69.87 0.53 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.44 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.21 119.52 25.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 109.328 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -80.01 -69.98 0.55 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.004 . . . . 0.0 109.916 179.891 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.78 15.44 0.06 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -81.56 -9.78 59.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -1.176 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' MET . . . -70.41 -165.11 0.09 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.186 -0.947 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 2.7 tmm? 75.11 -69.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.613 -0.679 . . . . 0.0 109.392 -179.567 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -153.83 -46.91 0.09 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.857 . . . . 0.0 110.313 -179.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.81 -149.56 20.65 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.526 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -78.21 132.67 37.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.134 -1.215 . . . . 0.0 109.287 -179.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.11 142.61 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.367 -0.833 . . . . 0.0 109.108 179.608 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.466 -179.839 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.72 145.97 24.19 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.823 0.821 . . . . 0.0 110.876 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.449 ' C ' ' N ' ' B' ' 5' ' ' ILE . 47.4 t0 -60.0 -40.02 87.78 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -16.4 0.57 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.449 ' N ' ' C ' ' B' ' 3' ' ' ASP . 79.8 mt -60.05 -41.52 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.274 -1.133 . . . . 0.0 108.689 179.16 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -65.17 -38.9 92.0 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.1 77.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.589 -0.695 . . . . 0.0 109.599 -179.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.11 -41.8 93.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.949 -1.094 . . . . 0.0 109.024 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.72 -39.98 93.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.358 -0.839 . . . . 0.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.46 3.4 55.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.232 -0.917 . . . . 0.0 110.775 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.23 -42.45 40.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.753 -1.217 . . . . 0.0 109.436 -179.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.4 -0.813 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.24 -39.98 88.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 110.639 -178.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.06 -14.85 45.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.89 -1.131 . . . . 0.0 109.853 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 59.36 -134.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.324 -0.86 . . . . 0.0 110.438 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -84.08 -1.32 54.67 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.351 -0.843 . . . . 0.0 110.652 -178.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.22 77.52 6.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.859 -1.151 . . . . 0.0 109.972 -179.586 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -70.08 -27.7 64.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.397 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.96 -41.08 91.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 0.0 109.778 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.9 82.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.15 -0.969 . . . . 0.0 109.004 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 44.8 ttp -62.55 -42.95 99.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.88 85.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.11 -0.993 . . . . 0.0 109.278 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -65.46 -38.16 89.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 110.018 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.7 -40.03 76.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 110.481 -179.316 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -95.52 0.07 52.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.086 -1.009 . . . . 0.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 m120 51.51 48.48 22.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.346 -0.846 . . . . 0.0 110.155 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 28.3 mt -116.38 153.56 48.79 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.507 -0.746 . . . . 0.0 109.259 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' B' ' 31' ' ' VAL . 90.8 Cg_endo -76.21 149.97 32.56 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.039 1.826 . . . . 0.0 111.392 179.013 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.38 -22.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.426 2.084 . . . . 0.0 113.082 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.9 t -59.98 -52.6 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.912 -1.118 . . . . 0.0 110.186 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.37 -39.98 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.965 . . . . 0.0 110.164 -179.448 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.56 -49.18 78.77 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.972 -1.08 . . . . 0.0 108.977 -179.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -60.74 -39.99 90.73 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 109.253 179.127 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.11 -40.86 97.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.649 -178.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.23 -40.05 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.028 -1.045 . . . . 0.0 108.251 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.84 -40.0 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.137 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.47 -20.68 60.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.792 -0.567 . . . . 0.0 110.613 -179.79 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.2 m -94.25 -38.31 11.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.924 -1.11 . . . . 0.0 109.662 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 t -59.9 130.46 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.105 -0.997 . . . . 0.0 108.422 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -78.4 -31.32 48.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.984 . . . . 0.0 110.797 -179.057 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.7 -40.44 72.85 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.955 -1.09 . . . . 0.0 110.026 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -86.21 5.99 31.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.154 -0.966 . . . . 0.0 109.809 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -78.12 -69.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 -179.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.12 119.56 25.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.262 -0.899 . . . . 0.0 109.366 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -79.94 -70.03 0.55 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.151 -0.968 . . . . 0.0 109.923 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.75 15.64 0.06 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.793 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -81.69 -9.65 59.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -1.145 . . . . 0.0 109.015 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' B' ' 50' ' ' MET . . . -70.52 -165.19 0.1 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 0.0 109.177 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 2.7 tmm? 75.23 -70.22 0.16 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.4 -179.621 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -153.56 -47.08 0.09 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 0.0 110.351 -179.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.8 -149.51 20.59 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -78.14 132.65 37.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -1.221 . . . . 0.0 109.412 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.11 142.63 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.387 -0.821 . . . . 0.0 109.147 179.635 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.6 t0 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.433 -179.861 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.647 0.737 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.34 141.48 31.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.64 0.733 . . . . 0.0 110.729 -179.067 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -59.99 -39.8 86.97 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.623 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.97 -15.28 0.16 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' ASP . 63.6 mt -60.36 -40.6 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.281 -1.129 . . . . 0.0 108.683 178.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.0 -40.02 87.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.04 -35.84 82.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -37.25 76.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.465 -0.772 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.89 -40.1 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.073 -1.017 . . . . 0.0 109.333 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.26 -40.02 88.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.57 1.91 56.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.029 -1.044 . . . . 0.0 110.927 -178.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -48.51 -41.09 29.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.798 -1.188 . . . . 0.0 108.922 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.8 mt-10 -60.99 -39.96 91.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.518 -0.739 . . . . 0.0 109.332 179.323 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.99 -40.06 92.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.321 -0.862 . . . . 0.0 109.609 -179.556 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.54 -18.12 32.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 68.5 m-70 57.61 -128.8 1.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.486 -0.759 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -85.37 -9.05 58.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.501 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -78.07 74.91 4.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 0.0 109.654 -179.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.05 -25.1 63.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.572 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.5 -40.19 90.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.952 . . . . 0.0 109.681 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.09 89.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.344 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 ttp -61.88 -40.72 96.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 0.0 109.438 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -58.86 -40.0 82.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.017 -1.052 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -69.52 -40.02 77.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -93.93 -1.55 54.52 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.109 -0.994 . . . . 0.0 108.909 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.5 m120 52.09 50.09 19.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -0.785 . . . . 0.0 110.139 179.174 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.58 153.07 51.97 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.563 -0.711 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.49 154.69 45.31 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.971 1.78 . . . . 0.0 111.316 179.286 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.68 -21.5 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.18 1.92 . . . . 0.0 112.954 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.71 -57.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.981 -1.074 . . . . 0.0 110.46 -178.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.79 -40.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 110.132 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.15 70.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.397 178.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.19 -40.53 90.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.022 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.93 -41.29 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 108.326 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.05 -40.04 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.031 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.12 -18.53 58.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.564 -0.71 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -95.07 -40.45 9.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.033 -1.042 . . . . 0.0 109.919 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.3 130.55 46.72 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.008 -1.057 . . . . 0.0 108.614 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -76.42 -32.79 58.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 110.505 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.3 -39.92 74.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 110.414 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.5 m -85.78 -4.98 59.31 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.986 -1.071 . . . . 0.0 110.258 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 11.0 tp-100 -69.71 -58.21 4.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.059 -1.026 . . . . 0.0 109.509 -179.454 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -89.1 141.03 28.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.223 -0.923 . . . . 0.0 109.843 -179.784 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 48' ' ' GLU . 62.9 mttp -79.91 159.97 26.17 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.23 0.85 0.31 Allowed Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' A' ' 46' ' ' LYS . 87.0 tt0 -89.41 -79.97 0.31 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.063 -1.257 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 56.07 6.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -0.935 . . . . 0.0 109.858 179.61 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mtm -151.79 107.56 3.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.277 -0.889 . . . . 0.0 109.024 179.77 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -83.56 152.23 24.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.515 -0.741 . . . . 0.0 109.928 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.54 146.77 21.57 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.3 121.65 26.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 0.0 108.806 179.732 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 54' ' ' VAL . 16.0 m -94.85 -1.98 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.156 -0.965 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.1 t0 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.348 179.673 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.641 0.734 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.4 141.45 31.26 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.643 0.735 . . . . 0.0 110.709 -178.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.6 m-20 -60.04 -39.86 87.36 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.683 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.88 -15.39 0.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 178.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 63.6 mt -60.23 -40.63 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -1.143 . . . . 0.0 108.68 178.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -60.03 -39.99 87.81 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.17 -35.7 81.9 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.362 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -37.1 76.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.516 -0.74 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.026 -1.046 . . . . 0.0 109.336 179.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.33 -39.99 89.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.168 -0.957 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -92.61 1.88 57.02 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.118 -0.989 . . . . 0.0 110.898 -178.66 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.4 -41.1 28.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.826 -1.172 . . . . 0.0 108.904 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.411 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.9 mt-10 -60.95 -39.98 91.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.497 -0.752 . . . . 0.0 109.448 179.307 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.12 -40.01 92.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.557 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -86.45 -18.21 32.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 109.508 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 68.4 m-70 57.71 -128.75 1.6 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.453 -0.779 . . . . 0.0 110.188 179.309 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.8 p -85.42 -8.93 58.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.0 110.479 -179.294 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -78.14 74.81 4.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 109.699 -179.029 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -70.0 -25.12 63.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.636 179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.62 -40.02 90.35 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 109.63 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.06 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.325 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.95 -40.79 96.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 109.39 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -58.76 -40.01 82.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.88 -1.138 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.5 m -64.33 -39.99 95.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 110.16 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -69.66 -39.95 76.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.211 -0.931 . . . . 0.0 110.501 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -93.75 -1.63 54.81 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.094 -1.004 . . . . 0.0 108.962 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.5 m120 52.3 49.93 19.46 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.475 -0.766 . . . . 0.0 110.068 179.061 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -118.56 153.1 51.94 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.526 -0.734 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.56 154.56 44.87 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.996 1.797 . . . . 0.0 111.215 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.51 -21.67 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.153 1.902 . . . . 0.0 112.982 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.57 -57.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.017 -1.052 . . . . 0.0 110.494 -178.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.82 -39.96 76.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.221 -0.925 . . . . 0.0 110.182 -179.075 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.02 71.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.046 -1.034 . . . . 0.0 109.418 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.037 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.32 -40.22 89.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.389 -0.819 . . . . 0.0 109.994 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -61.22 -41.17 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.049 -1.032 . . . . 0.0 108.363 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.15 -39.95 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.54 58.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.681 -0.637 . . . . 0.0 110.17 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.2 m -95.13 -40.27 9.69 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.052 -1.03 . . . . 0.0 109.932 -179.198 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.41 130.5 46.55 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 108.536 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -76.41 -32.79 58.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.221 -0.925 . . . . 0.0 110.474 -179.101 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.29 -40.1 74.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 110.378 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.76 -4.76 59.25 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.019 -1.051 . . . . 0.0 110.203 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 66.2 tp60 -69.73 -58.27 4.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.956 -1.09 . . . . 0.0 109.509 -179.456 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.13 140.86 29.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.205 -0.935 . . . . 0.0 109.787 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' B' ' 48' ' ' GLU . 62.9 mttp -79.75 160.0 26.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 108.622 178.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.32 0.79 0.33 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 46' ' ' LYS . 87.2 tt0 -89.39 -80.06 0.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.038 -1.272 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.46 55.57 7.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.969 . . . . 0.0 109.86 179.592 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 75.2 mtm -151.08 107.13 3.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.306 -0.871 . . . . 0.0 109.177 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -82.75 152.11 25.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.44 146.72 21.47 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.32 121.46 26.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -1.076 . . . . 0.0 108.77 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -94.6 -2.08 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.154 -0.966 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 t0 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.325 179.719 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.13 138.43 37.21 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.9 m-20 -60.23 -36.88 78.73 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.342 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.62 -12.13 0.19 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' ASP . 34.1 mt -59.91 -35.8 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.638 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 57.8 t0 -59.97 -37.06 78.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.39 -0.818 . . . . 0.0 109.244 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.09 -36.69 84.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 109.372 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.42 72.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.264 -0.898 . . . . 0.0 109.764 -179.528 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.09 -41.2 92.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.079 -1.013 . . . . 0.0 109.588 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -40.01 94.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.36 5.8 50.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.184 -0.948 . . . . 0.0 110.652 -178.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.2 t -49.31 -41.74 39.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.868 -1.145 . . . . 0.0 109.137 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.38 -39.63 91.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.639 -0.663 . . . . 0.0 109.718 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 87.8 tttt -60.48 -39.81 89.01 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.212 -0.93 . . . . 0.0 110.062 -179.056 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.8 -13.02 43.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.983 -1.073 . . . . 0.0 109.634 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 14' ' ' LYS . 29.8 m80 58.96 -139.02 0.76 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.434 -0.792 . . . . 0.0 110.242 179.058 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -83.9 -2.32 56.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -0.924 . . . . 0.0 110.342 -179.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.07 82.55 6.12 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.004 -1.06 . . . . 0.0 109.542 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -70.12 -29.18 66.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.477 -0.764 . . . . 0.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -60.11 -40.34 89.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.898 -1.126 . . . . 0.0 110.4 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.39 89.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.877 -1.139 . . . . 0.0 108.613 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.01 -44.77 96.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.535 -0.728 . . . . 0.0 109.587 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -56.93 -40.22 75.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.375 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -64.79 -39.73 94.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.404 -0.81 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.88 -39.99 75.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.067 -1.021 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -91.19 -3.08 57.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.041 . . . . 0.0 109.004 179.518 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ALA . 23.6 m120 52.85 47.14 25.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.508 -0.745 . . . . 0.0 110.735 179.035 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 mt -117.48 151.34 48.07 Favored Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.444 -0.785 . . . . 0.0 108.975 179.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.37 153.98 55.91 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.862 1.708 . . . . 0.0 111.652 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.41 -24.14 0.22 Allowed 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.656 2.237 . . . . 0.0 113.667 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.83 -53.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.99 -1.069 . . . . 0.0 110.112 -178.368 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.62 -40.88 62.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.375 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.33 70.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 0.0 109.56 -179.537 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.31 -39.98 88.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.94 -1.1 . . . . 0.0 109.328 178.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.2 -40.98 95.97 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.132 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.21 -40.17 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.744 -1.222 . . . . 0.0 107.908 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.07 -39.94 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.352 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.81 -19.74 30.74 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.667 -0.645 . . . . 0.0 109.787 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 m -92.05 -44.51 8.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.073 -1.017 . . . . 0.0 108.719 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -59.61 123.95 18.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.64 -21.02 56.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.889 -1.132 . . . . 0.0 109.994 -179.473 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -78.52 -46.88 18.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.963 -1.086 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -79.05 -20.83 47.91 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.085 -1.01 . . . . 0.0 110.209 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.37 -69.09 0.56 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.895 -1.128 . . . . 0.0 108.971 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.19 152.31 29.23 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.351 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -76.91 -6.23 51.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.009 -1.057 . . . . 0.0 109.49 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.71 -140.39 7.51 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.24 145.07 30.23 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.137 -1.214 . . . . 0.0 109.142 179.79 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.6 -84.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -0.867 . . . . 0.0 109.096 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -78.86 151.94 31.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -84.44 143.45 29.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.242 -0.911 . . . . 0.0 109.584 -179.862 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.546 ' O ' ' NE2' ' A' ' 53' ' ' GLN . . . -89.69 -29.5 15.91 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 99.8 mm-40 -148.75 127.21 12.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.16 -1.2 . . . . 0.0 109.167 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.04 -73.47 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.87 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.528 179.647 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.07 138.25 37.4 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -0.843 . . . . 0.0 111.137 -178.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 5' ' ' ILE . 96.8 m-20 -60.09 -36.73 78.06 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.267 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.77 -12.04 0.2 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.046 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' B' ' 3' ' ' ASP . 33.9 mt -59.93 -35.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.706 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 57.4 t0 -60.34 -37.03 79.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.541 -0.724 . . . . 0.0 109.143 179.243 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -62.82 -37.15 85.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.181 -0.949 . . . . 0.0 109.385 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.41 72.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 -179.479 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.91 -41.14 91.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 -40.06 94.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.025 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -93.47 5.99 49.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.155 -0.966 . . . . 0.0 110.64 -178.726 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t -49.36 -41.7 39.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.748 -1.22 . . . . 0.0 108.928 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.49 -39.41 90.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.479 -0.763 . . . . 0.0 109.766 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 87.8 tttt -60.62 -40.05 90.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.037 -1.039 . . . . 0.0 110.053 -179.098 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -87.48 -12.95 44.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.032 -1.043 . . . . 0.0 109.709 -179.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' B' ' 14' ' ' LYS . 29.5 m80 58.69 -139.13 0.78 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.496 -0.752 . . . . 0.0 110.207 179.145 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.99 -2.12 56.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -80.22 83.0 6.15 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -70.42 -28.99 65.49 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 110.485 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.3 -40.36 90.25 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.957 -1.089 . . . . 0.0 110.337 -179.695 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.52 89.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.055 . . . . 0.0 108.629 179.551 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -61.81 -44.85 96.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.626 -0.671 . . . . 0.0 109.655 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -57.07 -40.01 76.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.144 -0.973 . . . . 0.0 109.381 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.7 m -64.71 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.419 -0.801 . . . . 0.0 110.28 -179.646 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.95 -40.08 75.65 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.917 -179.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.28 -2.96 57.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.119 -0.988 . . . . 0.0 108.918 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 23' ' ' ALA . 23.6 m120 52.64 47.43 24.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 0.0 110.718 178.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.3 mt -117.59 151.48 48.4 Favored Pre-proline 0 N--CA 1.503 2.206 0 O-C-N 121.353 -0.842 . . . . 0.0 108.841 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.34 154.01 56.07 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.9 1.733 . . . . 0.0 111.603 179.575 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -41.52 -24.04 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.659 2.239 . . . . 0.0 113.671 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.97 -53.0 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.863 -1.148 . . . . 0.0 110.071 -178.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -40.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.923 -179.477 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.083 -1.011 . . . . 0.0 109.6 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.25 -40.02 88.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 178.698 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -61.09 -40.79 95.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 -179.181 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.23 -40.16 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.03 -40.2 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.183 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.8 -19.64 29.84 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.738 -179.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.6 m -92.1 -44.12 9.0 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.094 -1.003 . . . . 0.0 108.748 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.03 123.68 17.86 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -76.46 -20.82 56.63 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.851 -1.156 . . . . 0.0 110.088 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -78.79 -46.92 17.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.974 -1.079 . . . . 0.0 110.242 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 86.6 m -78.9 -21.0 48.05 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.051 -1.03 . . . . 0.0 110.225 -179.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.31 -69.49 0.53 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.975 -1.078 . . . . 0.0 108.89 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.82 152.13 29.89 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -76.67 -6.35 51.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.945 -1.097 . . . . 0.0 109.55 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.77 -140.41 7.51 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -82.15 145.11 30.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -1.166 . . . . 0.0 109.206 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.73 -84.7 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.115 -0.991 . . . . 0.0 109.038 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -78.6 151.24 32.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 0.0 109.403 179.717 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -83.38 143.73 30.12 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 109.748 179.754 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.535 ' O ' ' NE2' ' B' ' 53' ' ' GLN . . . -89.95 -29.49 15.28 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.736 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 52' ' ' GLY . 99.8 mm-40 -148.75 127.3 12.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.09 -1.241 . . . . 0.0 109.133 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.0 t -89.96 -73.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.431 -0.793 . . . . 0.0 109.077 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.479 179.806 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.9 mt -98.6 137.02 37.85 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.401 -0.812 . . . . 0.0 111.183 -178.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ILE . 93.4 m-20 -60.76 -39.05 87.3 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.44 -11.7 0.16 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.151 -1.58 . . . . 0.0 109.151 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' ASP . 41.7 mt -59.79 -32.75 50.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.406 -1.055 . . . . 0.0 108.299 178.815 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.17 -0.956 . . . . 0.0 109.13 179.183 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.77 -39.49 88.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.177 -0.952 . . . . 0.0 108.569 179.44 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.2 79.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.501 -0.749 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -60.11 -40.91 91.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.83 -1.169 . . . . 0.0 109.021 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -61.55 -40.01 93.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.52 -0.737 . . . . 0.0 110.214 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.1 2.08 56.9 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.277 -0.889 . . . . 0.0 110.386 -178.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.04 -39.68 20.67 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 96.4 mt-10 -59.86 -39.43 85.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.407 -0.808 . . . . 0.0 109.069 179.865 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 64.3 tttm -60.42 -39.76 88.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.0 109.73 -179.883 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -85.04 -16.52 40.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 13' ' ' GLU . 9.1 m80 59.74 -137.28 0.73 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 t -86.7 -1.85 58.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.855 . . . . 0.0 110.285 -179.421 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.44 79.24 8.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.945 -1.097 . . . . 0.0 109.588 -179.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.96 -25.77 63.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.0 109.809 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.18 78.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.17 -0.956 . . . . 0.0 109.759 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.6 ttp -63.41 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.0 81.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.094 -1.004 . . . . 0.0 109.583 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.8 m -64.86 -39.95 94.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 0.0 110.76 -179.413 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -70.02 -40.02 75.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.079 -1.013 . . . . 0.0 110.707 -178.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -92.81 -2.26 56.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.155 -0.966 . . . . 0.0 108.978 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 m120 52.09 46.64 26.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.402 -0.811 . . . . 0.0 110.03 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.36 151.41 44.35 Favored Pre-proline 0 N--CA 1.501 2.117 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.8 Cg_endo -72.72 150.42 50.29 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.891 1.727 . . . . 0.0 111.538 179.329 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -40.65 -23.72 0.14 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.428 2.085 . . . . 0.0 113.122 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.7 t -59.98 -50.57 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.949 -1.094 . . . . 0.0 110.327 -178.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -76.97 -38.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.12 -0.988 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.61 68.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 109.089 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.63 -40.02 90.43 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.995 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.37 -40.0 92.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 110.455 -179.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.01 -40.66 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.15 -39.56 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.87 -24.89 64.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.773 -0.579 . . . . 0.0 110.705 -179.525 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -92.52 -34.41 14.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.866 -1.146 . . . . 0.0 109.647 -179.327 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.5 t -60.01 130.63 47.68 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.067 -1.021 . . . . 0.0 108.554 179.022 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -76.69 -34.89 58.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.154 -0.966 . . . . 0.0 110.911 -179.035 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.28 -40.05 74.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 110.868 -178.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -85.32 -1.04 56.54 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.534 ' OE1' ' NE2' ' B' ' 44' ' ' GLN . 9.9 tp-100 -69.5 -57.99 4.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.026 -1.046 . . . . 0.0 109.482 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.52 145.24 27.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.462 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.93 -40.15 75.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.868 . . . . 0.0 109.221 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.41 -105.59 0.27 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 56.3 mp0 -85.78 102.91 14.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.19 -1.183 . . . . 0.0 109.155 179.753 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.03 59.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 110.146 -179.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.5 ptp -78.44 131.01 36.73 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.03 . . . . 0.0 109.626 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -90.2 -0.46 57.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.141 -0.975 . . . . 0.0 109.979 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.43 -159.78 53.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.56 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.68 137.36 36.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -1.123 . . . . 0.0 109.914 -179.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.05 123.69 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 109.135 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.478 -179.881 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.59 137.08 37.75 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.856 0.836 . . . . 0.0 111.079 -178.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 5' ' ' ILE . 93.5 m-20 -60.84 -39.24 88.33 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.17 -11.87 0.15 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' B' ' 3' ' ' ASP . 41.5 mt -59.75 -32.67 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 121.407 -1.055 . . . . 0.0 108.352 178.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -40.03 88.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 109.061 179.308 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.71 -39.34 88.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 108.625 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.48 80.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -59.93 -40.71 89.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.857 -1.152 . . . . 0.0 108.93 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.66 -40.06 93.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.447 -0.783 . . . . 0.0 110.145 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -93.13 2.22 56.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.296 -0.877 . . . . 0.0 110.415 -178.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.24 -39.51 21.57 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.001 -1.062 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 96.5 mt-10 -60.03 -39.39 85.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.367 -0.833 . . . . 0.0 109.073 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.437 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 64.3 tttm -60.34 -39.85 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.839 . . . . 0.0 109.681 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -85.0 -16.54 40.46 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.007 -1.058 . . . . 0.0 109.95 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' B' ' 13' ' ' GLU . 9.2 m80 59.85 -137.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.738 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 24.8 t -86.36 -1.94 57.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 0.0 110.3 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -81.51 79.24 8.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.702 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -69.9 -25.6 63.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.262 -0.898 . . . . 0.0 109.825 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.48 -40.49 91.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.051 -179.401 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.29 78.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -63.29 -40.08 96.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.978 . . . . 0.0 109.74 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.01 81.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.134 -0.979 . . . . 0.0 109.582 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.4 m -64.8 -39.98 94.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.191 -0.943 . . . . 0.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.67 -178.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -92.8 -2.42 55.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.131 -0.981 . . . . 0.0 109.015 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m120 52.12 46.6 26.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.404 -0.81 . . . . 0.0 109.978 179.269 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.18 151.41 44.23 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.33 -0.856 . . . . 0.0 109.463 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.6 Cg_endo -72.72 150.28 50.02 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.99 1.794 . . . . 0.0 111.493 179.326 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -40.66 -23.47 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.367 2.045 . . . . 0.0 113.025 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.7 t -60.06 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.958 -1.089 . . . . 0.0 110.552 -178.74 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.85 -38.21 28.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 109.652 -179.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.27 70.41 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.182 -0.949 . . . . 0.0 109.038 -179.448 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.86 -40.01 91.31 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 110.065 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.34 -39.99 92.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.308 -0.87 . . . . 0.0 110.347 -179.115 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.99 -40.64 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 107.901 -179.634 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.14 -39.9 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.392 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -25.02 64.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.672 -0.643 . . . . 0.0 110.681 -179.602 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -92.65 -34.37 14.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.769 -1.207 . . . . 0.0 109.644 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -60.03 130.72 48.12 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.143 -0.973 . . . . 0.0 108.54 178.914 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -76.67 -35.21 58.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.147 -0.971 . . . . 0.0 110.931 -179.026 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.09 -40.02 75.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.069 -1.019 . . . . 0.0 110.778 -178.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.5 m -85.22 -1.12 56.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.911 -1.118 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' OE1' ' A' ' 44' ' ' GLN . 71.8 tp60 -69.48 -57.82 4.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.059 -1.026 . . . . 0.0 109.531 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 94.2 mt -85.98 145.17 27.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.26 -0.9 . . . . 0.0 109.512 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.96 -40.11 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.397 -0.815 . . . . 0.0 109.244 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.48 -105.73 0.27 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 56.3 mp0 -85.67 103.5 14.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.149 -1.206 . . . . 0.0 109.049 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.88 -10.04 59.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.368 -0.833 . . . . 0.0 110.108 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 14.5 ptp -78.36 130.99 36.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.106 -0.996 . . . . 0.0 109.582 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -90.04 -0.83 57.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.008 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.72 -159.5 53.66 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.83 137.43 36.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.192 -1.181 . . . . 0.0 109.774 -179.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.11 123.58 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.097 -1.002 . . . . 0.0 109.543 -179.87 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.07 138.55 36.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.723 0.773 . . . . 0.0 111.495 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 5' ' ' ILE . 63.7 t0 -59.96 -39.99 87.52 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.37 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.6 -10.77 0.25 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 3' ' ' ASP . 38.1 mt -60.02 -32.49 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.395 -1.062 . . . . 0.0 108.446 179.052 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.08 -39.16 85.13 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.183 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.27 -38.06 87.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.417 -0.802 . . . . 0.0 109.096 179.548 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.69 71.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.104 -0.997 . . . . 0.0 109.546 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.44 -0.03 57.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.091 -1.005 . . . . 0.0 110.744 -178.625 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.91 -46.03 42.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.797 -1.189 . . . . 0.0 108.963 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.02 -40.02 87.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.454 -0.779 . . . . 0.0 109.45 179.273 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.297 -0.877 . . . . 0.0 109.756 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.21 -11.19 56.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.934 -1.104 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 58.99 -135.99 0.86 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.538 -0.726 . . . . 0.0 110.46 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.9 m -83.94 -4.53 58.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.564 -0.71 . . . . 0.0 110.561 -178.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.64 76.13 7.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.861 -1.149 . . . . 0.0 109.86 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.58 -24.71 62.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.176 -0.952 . . . . 0.0 109.892 179.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.13 -40.08 92.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.993 . . . . 0.0 109.822 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.68 89.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.22 -42.25 99.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 0.0 109.359 179.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.05 79.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.067 -1.021 . . . . 0.0 109.818 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 41.4 t -65.49 -38.5 89.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.088 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.56 -39.9 77.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.244 -0.91 . . . . 0.0 110.254 -179.348 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.64 0.23 56.41 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.096 -1.002 . . . . 0.0 109.551 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 24' ' ' SER . 9.9 m120 52.11 46.15 27.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.283 -0.886 . . . . 0.0 110.308 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.5 mt -115.52 152.71 47.41 Favored Pre-proline 0 N--CA 1.502 2.138 0 O-C-N 121.469 -0.769 . . . . 0.0 109.356 -179.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 74.3 Cg_endo -74.01 149.99 42.63 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.052 1.835 . . . . 0.0 111.39 179.346 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -39.87 -23.77 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.414 2.076 . . . . 0.0 113.384 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.2 t -60.0 -52.55 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.849 -1.157 . . . . 0.0 110.454 -178.664 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -72.92 -40.0 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.147 -0.97 . . . . 0.0 110.176 -179.175 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.109 -0.995 . . . . 0.0 109.489 -179.25 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -60.02 -40.0 87.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.227 -0.92 . . . . 0.0 110.022 179.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.17 -39.94 92.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 0.0 110.441 -179.085 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.7 -41.63 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.877 -1.139 . . . . 0.0 108.494 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.01 -39.97 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -59.55 -26.01 65.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.721 -0.612 . . . . 0.0 110.405 -179.618 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.6 m -91.6 -33.99 14.89 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.645 -179.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.55 126.1 26.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.052 -1.03 . . . . 0.0 108.543 179.349 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.28 -34.05 61.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.04 -179.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.45 -39.96 74.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.677 -178.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.4 1.12 49.97 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.837 -1.164 . . . . 0.0 109.565 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 8.3 tp-100 -77.07 -71.15 0.42 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.179 -0.95 . . . . 0.0 109.157 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.14 145.07 27.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.131 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -79.42 -7.87 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 108.761 178.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.98 -27.7 2.64 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.19 118.44 28.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.285 -1.126 . . . . 0.0 109.677 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.25 -13.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 0.0 109.613 179.646 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.9 mtt -79.72 -9.8 59.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.0 109.933 -179.3 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.87 151.12 26.14 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.055 -1.028 . . . . 0.0 109.486 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.32 -125.76 0.82 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -159.2 127.69 5.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -1.174 . . . . 0.0 109.622 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 54' ' ' VAL . 28.3 m -92.78 143.3 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.317 -0.864 . . . . 0.0 109.549 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.668 -179.831 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.03 138.61 36.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.43 -0.794 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' B' ' 5' ' ' ILE . 63.9 t0 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.293 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 -10.78 0.25 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' ASP . 37.6 mt -60.0 -32.54 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.286 -1.126 . . . . 0.0 108.381 179.085 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.04 -39.12 84.81 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.31 -38.12 88.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.426 -0.796 . . . . 0.0 109.092 179.494 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.82 -34.71 71.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.218 -0.926 . . . . 0.0 109.494 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.26 -40.06 88.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.11 -40.03 88.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.353 -0.842 . . . . 0.0 110.546 -179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -92.48 0.03 57.39 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.037 -1.039 . . . . 0.0 110.725 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -48.9 -46.09 42.29 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.864 -1.147 . . . . 0.0 108.953 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -40.02 88.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.372 179.315 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.51 -39.98 89.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.162 -0.961 . . . . 0.0 109.792 -179.544 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -84.28 -11.13 56.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 109.227 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 58.87 -136.16 0.87 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.527 -0.733 . . . . 0.0 110.44 179.156 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 44.9 m -83.77 -4.51 58.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.509 -0.745 . . . . 0.0 110.65 -178.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -80.75 76.19 7.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.798 -179.237 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -70.52 -24.82 62.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.865 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.16 -39.92 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.108 -0.995 . . . . 0.0 109.749 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.79 88.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.201 -0.937 . . . . 0.0 109.364 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.16 -42.23 99.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 179.505 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.04 79.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 109.812 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.412 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 41.3 t -65.51 -38.53 89.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.045 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.43 -40.12 77.44 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 0.0 110.256 -179.329 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -93.54 0.21 56.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.128 -0.983 . . . . 0.0 109.552 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' B' ' 24' ' ' SER . 10.0 m120 52.02 46.27 26.89 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.0 110.268 179.073 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.48 152.69 47.34 Favored Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.406 -0.808 . . . . 0.0 109.457 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' B' ' 31' ' ' VAL . 74.5 Cg_endo -73.89 150.01 43.27 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.116 1.877 . . . . 0.0 111.47 179.34 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -40.02 -23.41 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.325 2.016 . . . . 0.0 113.257 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.03 -52.75 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.86 -1.15 . . . . 0.0 110.546 -178.491 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.75 -39.97 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.172 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.9 75.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.485 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -59.99 -40.01 87.72 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.184 -0.948 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.17 -40.11 92.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.191 -0.943 . . . . 0.0 110.364 -179.035 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.52 -41.71 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.866 -1.146 . . . . 0.0 108.569 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.13 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 177.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -59.43 -26.14 64.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.755 -0.591 . . . . 0.0 110.407 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.5 m -91.74 -33.71 14.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.982 -1.074 . . . . 0.0 109.723 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.65 126.01 25.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.066 -1.021 . . . . 0.0 108.567 179.173 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -75.12 -34.08 61.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 110.183 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.37 -40.08 74.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.7 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 74.8 m -85.41 1.18 49.74 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.011 -1.056 . . . . 0.0 109.671 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -77.08 -71.14 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.101 -1.0 . . . . 0.0 109.035 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 mt -86.12 145.07 27.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 0.0 109.199 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' B' ' 48' ' ' GLU . 63.1 mttm -79.44 -7.95 58.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.784 179.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.96 -27.57 2.65 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' B' ' 46' ' ' LYS . 96.0 mt-10 -89.24 118.43 28.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -1.052 . . . . 0.0 109.697 179.673 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.16 -13.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 179.565 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.9 mtt -79.44 -10.05 59.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 0.0 110.001 -179.325 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -82.26 151.06 26.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.992 -1.068 . . . . 0.0 109.533 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.29 -125.71 0.81 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -159.25 127.64 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.174 -1.192 . . . . 0.0 109.619 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.9 m -92.77 143.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.303 -0.873 . . . . 0.0 109.634 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 46.4 t0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.551 -179.752 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.743 0.782 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.9 mt -94.45 145.8 24.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.559 -0.713 . . . . 0.0 110.288 -179.572 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' ILE . 97.5 m-20 -60.01 -39.91 87.43 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.56 -17.96 0.31 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.265 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' ASP . 78.7 mt -60.09 -40.81 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.473 -1.016 . . . . 0.0 108.775 179.035 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.22 -40.06 92.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -66.31 -37.77 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.86 71.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.391 -0.818 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.0 -42.03 93.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 108.931 179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.61 -39.99 95.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.568 -0.708 . . . . 0.0 109.933 179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.82 8.5 40.92 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.339 -0.851 . . . . 0.0 110.01 -178.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -50.39 -47.03 56.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.186 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -37.21 81.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.739 . . . . 0.0 109.766 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -60.47 -36.98 79.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.21 -15.59 49.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.827 -1.171 . . . . 0.0 109.697 -179.135 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 57.64 -136.95 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.405 -0.809 . . . . 0.0 109.755 179.724 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 m -83.01 -5.99 59.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.98 -179.709 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -81.08 72.75 8.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.066 -1.021 . . . . 0.0 109.673 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.06 -23.97 63.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.0 -40.32 88.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.215 -0.928 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.23 89.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.101 -0.999 . . . . 0.0 109.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 ttp -62.94 -42.27 99.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 0.0 109.917 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.39 -40.04 85.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.002 -1.061 . . . . 0.0 109.54 -179.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 t -67.03 -38.34 85.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.264 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.95 -40.13 79.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.164 -0.96 . . . . 0.0 109.933 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.82 -0.75 47.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.25 -0.906 . . . . 0.0 109.071 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 m120 51.97 49.3 21.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.26 -0.9 . . . . 0.0 109.973 179.53 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.32 125.68 27.99 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.558 -0.714 . . . . 0.0 109.9 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 88.5 Cg_exo -46.91 149.11 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.505 1.47 . . . . 0.0 111.622 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.41 -20.72 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.422 2.081 . . . . 0.0 113.395 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.4 t -60.0 -52.55 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.753 -1.217 . . . . 0.0 111.188 -178.01 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 t -72.31 -39.95 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.035 -1.04 . . . . 0.0 110.675 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.92 83.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.975 -1.078 . . . . 0.0 108.923 -178.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.03 -40.02 87.91 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 109.774 178.692 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.32 -40.49 97.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 110.339 -179.092 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -41.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.19 -40.03 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 177.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.562 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -61.63 -18.3 58.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.667 -0.646 . . . . 0.0 109.962 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -93.4 -37.46 11.97 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.857 -1.152 . . . . 0.0 109.223 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.6 t -60.09 130.72 48.09 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 108.807 179.173 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -77.97 -26.16 48.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 109.968 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -42.99 62.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.983 . . . . 0.0 110.173 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.5 -3.52 58.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.995 -1.066 . . . . 0.0 110.272 -179.549 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 6.8 tp-100 -70.03 -59.96 2.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.04 -1.037 . . . . 0.0 109.81 -179.543 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.22 145.39 25.91 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.202 -0.936 . . . . 0.0 109.072 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.5 -9.97 59.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.116 -0.99 . . . . 0.0 109.132 179.609 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.14 -14.94 57.83 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.519 ' OE2' ' CD2' ' A' ' 51' ' ' HIS . 86.1 tt0 -80.17 -35.41 36.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -1.2 . . . . 0.0 109.014 179.786 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . 32.1 -98.0 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.242 0.544 . . . . 0.0 111.559 179.676 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 ttt -80.3 130.74 35.4 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.325 -0.859 . . . . 0.0 110.594 -179.149 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 67.3 m80 -80.89 -35.03 33.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.283 -0.886 . . . . 0.0 109.528 179.445 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.17 15.95 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -81.21 135.39 35.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.221 -1.164 . . . . 0.0 109.748 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.17 -73.79 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.332 -0.855 . . . . 0.0 109.818 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.366 -179.552 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.631 0.729 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.34 145.8 24.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.626 -0.671 . . . . 0.0 110.332 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' B' ' 5' ' ' ILE . 97.5 m-20 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 178.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.37 -18.14 0.3 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' B' ' 3' ' ' ASP . 78.2 mt -60.06 -40.83 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.389 -1.065 . . . . 0.0 108.742 179.123 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.24 -39.96 92.25 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.44 -37.62 85.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.42 -0.8 . . . . 0.0 108.968 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.37 -33.76 71.59 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 0.0 109.396 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.99 -42.09 93.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.52 -40.0 95.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.558 -0.714 . . . . 0.0 109.929 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -93.81 8.53 40.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.394 -0.816 . . . . 0.0 109.962 -178.671 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -50.32 -47.03 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 179.59 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.93 -37.25 81.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.543 -0.723 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -60.36 -37.09 79.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 -179.051 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.94 -15.67 50.39 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.944 -1.098 . . . . 0.0 109.776 -179.258 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 57.62 -137.24 0.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.391 -0.818 . . . . 0.0 109.716 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 53.5 m -82.74 -6.04 59.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 110.04 -179.69 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.07 72.75 8.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.975 -1.078 . . . . 0.0 109.559 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -70.0 -23.95 63.23 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.148 -0.97 . . . . 0.0 109.352 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -60.13 -40.25 89.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.11 89.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 49.1 ttp -63.03 -42.19 99.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.96 179.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.46 -40.06 85.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.553 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t -66.97 -38.38 85.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.443 -0.785 . . . . 0.0 110.306 -179.481 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.04 -40.06 78.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.967 . . . . 0.0 109.917 -179.145 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.85 -0.77 47.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 109.0 179.399 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.9 m120 52.06 49.21 21.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.946 179.499 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -117.23 125.65 28.03 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' B' ' 31' ' ' VAL . 89.1 Cg_exo -46.88 149.23 3.35 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.485 1.457 . . . . 0.0 111.61 178.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.61 -20.64 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.337 2.024 . . . . 0.0 113.336 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.5 t -60.04 -52.6 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.757 -1.215 . . . . 0.0 111.178 -178.008 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.98 -40.08 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.799 -1.188 . . . . 0.0 110.79 -178.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.07 83.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 108.962 -178.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.95 -40.05 87.67 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.304 -0.873 . . . . 0.0 109.727 178.721 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -63.36 -40.04 96.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.26 -179.144 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.72 -41.24 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.815 -1.178 . . . . 0.0 107.831 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.47 -40.0 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.14 61.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.731 -0.606 . . . . 0.0 109.961 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -92.47 -37.21 12.66 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.05 -1.032 . . . . 0.0 109.353 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 28.5 t -60.18 130.88 48.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 108.865 179.129 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.14 -26.23 47.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -0.998 . . . . 0.0 109.863 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -73.05 -43.03 62.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.978 . . . . 0.0 110.231 -179.225 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -84.44 -3.45 58.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.014 -1.053 . . . . 0.0 110.217 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -70.06 -60.03 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.028 -1.045 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.11 145.29 26.02 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.288 -0.883 . . . . 0.0 109.119 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.31 -9.98 59.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 0.0 109.215 179.595 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -15.19 56.86 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.518 ' OE2' ' CD2' ' B' ' 51' ' ' HIS . 86.0 tt0 -79.73 -35.57 38.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -1.16 . . . . 0.0 109.055 179.728 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' B' ' 48' ' ' GLU . . . 31.97 -98.35 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.293 0.568 . . . . 0.0 111.523 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.8 ttt -79.81 131.16 35.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.53 -179.085 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.518 ' CD2' ' OE2' ' B' ' 48' ' ' GLU . 67.3 m80 -81.39 -34.46 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.235 -0.916 . . . . 0.0 109.586 179.383 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.32 179.12 16.01 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -81.27 135.2 35.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.182 -1.187 . . . . 0.0 109.889 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.5 t -89.95 -73.94 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.401 -0.812 . . . . 0.0 109.821 179.896 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.389 -179.483 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.0 mt -101.25 140.07 36.06 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.622 0.725 . . . . 0.0 111.263 -178.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 5' ' ' ILE . 96.1 m-20 -60.07 -39.67 86.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.419 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.99 -12.36 0.15 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.349 -1.501 . . . . 0.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 3' ' ' ASP . 39.0 mt -59.94 -33.2 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.384 -1.068 . . . . 0.0 108.322 178.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.97 -38.94 83.98 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.654 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.17 -39.42 92.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.459 -0.775 . . . . 0.0 109.361 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.43 70.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 109.759 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.19 -40.8 91.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.956 -1.09 . . . . 0.0 109.305 179.66 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.99 -39.94 91.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.428 -0.795 . . . . 0.0 109.904 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -91.18 0.54 57.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.323 -0.861 . . . . 0.0 110.602 -178.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.71 -44.97 38.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.599 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.45 -36.24 77.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.253 -0.905 . . . . 0.0 110.066 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.3 -37.31 87.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 0.0 109.923 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.65 -11.93 46.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.936 -1.103 . . . . 0.0 109.227 179.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 m80 57.97 -138.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.605 -0.684 . . . . 0.0 110.167 179.287 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.44 -0.84 51.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.046 -179.342 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.61 76.69 7.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.005 . . . . 0.0 109.572 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -70.05 -26.93 64.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.929 . . . . 0.0 109.954 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -40.05 88.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 110.073 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.1 86.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.7 ttp -63.19 -40.37 97.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.308 -0.87 . . . . 0.0 109.611 179.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -59.06 -40.02 83.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.047 -1.033 . . . . 0.0 109.626 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -68.71 -34.4 75.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.199 -0.938 . . . . 0.0 109.894 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -69.66 -43.42 72.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.178 -0.951 . . . . 0.0 109.593 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.78 -0.26 54.34 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.454 -0.779 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.5 m120 51.39 48.56 22.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.0 109.871 179.726 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 mt -115.81 150.77 45.46 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.677 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.47 153.32 49.87 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.06 1.84 . . . . 0.0 112.048 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -41.01 -26.9 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.663 2.242 . . . . 0.0 113.437 179.662 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -49.95 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.872 -1.143 . . . . 0.0 110.515 -178.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.37 -40.89 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.072 . . . . 0.0 110.001 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.99 71.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.138 -0.976 . . . . 0.0 109.575 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.08 -39.88 87.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 179.169 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.68 -40.43 92.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 -179.451 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.73 -41.39 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.027 -1.046 . . . . 0.0 108.435 -179.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.6 -40.1 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.308 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.99 -20.82 56.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -47.24 8.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.925 -1.109 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.67 130.05 44.94 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.21 -28.54 42.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 110.399 -179.009 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -73.89 -45.32 51.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.093 -1.005 . . . . 0.0 110.818 -178.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 -27.46 54.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.924 -1.11 . . . . 0.0 109.954 -179.436 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -78.98 -69.57 0.56 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.965 . . . . 0.0 108.896 179.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.82 157.97 26.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.376 -0.828 . . . . 0.0 109.202 179.832 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -82.0 -3.38 54.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.36 -0.837 . . . . 0.0 108.773 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -114.72 5.1 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -88.89 101.79 14.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.146 -1.208 . . . . 0.0 109.551 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 0.0 109.583 179.608 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.7 mtm -74.51 129.05 37.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.138 -0.976 . . . . 0.0 109.761 -179.168 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.29 162.83 40.94 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.367 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 54' ' ' VAL . . . -162.05 5.9 0.09 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.8 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 40.23 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.897 -0.766 . . . . 0.0 110.83 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.5 m -93.26 143.15 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.781 -1.199 . . . . 0.0 109.944 -179.707 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 18.6 p-10 . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.4 179.584 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 mt -101.19 139.96 36.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.537 -0.727 . . . . 0.0 111.367 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 5' ' ' ILE . 95.9 m-20 -59.98 -39.75 86.76 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.2 -12.24 0.16 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' B' ' 3' ' ' ASP . 38.6 mt -59.93 -33.23 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.327 -1.102 . . . . 0.0 108.291 178.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.9 -39.01 83.93 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 11' ' ' GLU . 64.6 tttm -62.04 -39.44 92.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.525 -0.735 . . . . 0.0 109.413 179.707 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -34.54 71.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.0 109.742 -179.604 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.12 -40.62 90.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.01 -40.03 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.473 -0.767 . . . . 0.0 109.897 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 7' ' ' LYS . 97.7 mt-10 -91.29 0.68 57.48 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.303 -0.873 . . . . 0.0 110.476 -178.794 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -48.9 -44.76 40.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.644 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.49 -36.43 78.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.943 . . . . 0.0 109.942 179.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -64.32 -37.18 86.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.138 -0.976 . . . . 0.0 109.964 -179.025 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -87.73 -12.13 46.14 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.942 -1.099 . . . . 0.0 109.115 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 58.18 -138.59 0.84 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.633 . . . . 0.0 110.037 179.226 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -83.39 -0.87 51.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 110.046 -179.242 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.55 76.71 7.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.624 -179.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -70.08 -26.98 64.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.863 179.774 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.131 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.21 86.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.089 -1.007 . . . . 0.0 109.405 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 51.6 ttp -63.09 -40.34 97.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.636 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -59.06 -40.06 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.113 . . . . 0.0 109.597 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t -68.73 -34.32 75.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.285 -0.884 . . . . 0.0 109.926 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.64 -43.55 72.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.636 -179.249 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.86 -0.25 54.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.525 -0.735 . . . . 0.0 109.348 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 26.6 m120 51.46 48.53 22.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.213 -0.93 . . . . 0.0 109.872 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -115.81 150.82 45.55 Favored Pre-proline 0 N--CA 1.5 2.048 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.5 153.25 49.68 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.088 1.859 . . . . 0.0 111.966 179.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.98 -26.81 0.28 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.634 2.223 . . . . 0.0 113.386 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -49.91 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 110.648 -178.353 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.47 -40.74 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 110.024 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.83 72.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.97 . . . . 0.0 109.561 -179.196 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.04 -39.97 87.78 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.217 -0.927 . . . . 0.0 109.65 179.143 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.73 -40.43 92.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.062 -179.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.78 -41.54 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.975 -1.078 . . . . 0.0 108.448 -179.917 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.47 -39.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.268 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.01 -20.79 56.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.508 -0.745 . . . . 0.0 109.897 -179.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -87.37 -47.14 9.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.08 -1.012 . . . . 0.0 108.995 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.84 129.82 43.73 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.88 -28.83 44.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.031 -1.043 . . . . 0.0 110.364 -179.077 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.94 -45.05 52.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.027 -1.046 . . . . 0.0 110.892 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 79.7 m -77.15 -27.22 53.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.93 -1.106 . . . . 0.0 109.95 -179.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -79.25 -69.56 0.57 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.19 -0.944 . . . . 0.0 108.863 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt -79.93 157.8 26.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.836 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.83 -3.41 53.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 108.847 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.75 -114.99 5.18 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -88.62 101.88 14.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.249 -1.147 . . . . 0.0 109.542 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.67 -2.7 40.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.198 -0.939 . . . . 0.0 109.494 179.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -74.22 129.23 37.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.067 -1.02 . . . . 0.0 109.826 -179.233 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.26 162.75 40.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.456 -0.777 . . . . 0.0 108.911 179.285 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' B' ' 54' ' ' VAL . . . -162.0 5.92 0.09 OUTLIER Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.758 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 40.1 -86.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.758 -0.848 . . . . 0.0 110.767 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' B' ' 52' ' ' GLY . 19.7 m -93.11 143.28 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.824 -1.172 . . . . 0.0 109.927 -179.68 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 18.8 p-10 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.381 179.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 90.5 mt -103.99 147.49 27.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.485 0.659 . . . . 0.0 110.098 -179.819 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' ILE . 94.1 m-20 -59.96 -39.99 87.49 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.638 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.83 -18.94 0.14 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 3' ' ' ASP . 76.4 mt -60.1 -41.44 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.601 -0.941 . . . . 0.0 109.307 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.04 -40.08 88.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.078 -1.014 . . . . 0.0 108.534 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.51 -38.96 92.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.509 -0.744 . . . . 0.0 109.168 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.45 -38.46 77.57 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.184 -0.948 . . . . 0.0 109.187 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -44.6 94.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.165 -0.959 . . . . 0.0 109.576 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.8 -39.95 90.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 110.322 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.91 9.55 38.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 109.94 -179.036 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -47.01 -40.6 14.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.146 -0.971 . . . . 0.0 109.719 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 98.6 mt-10 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 0.0 110.09 179.799 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.1 -39.83 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.973 . . . . 0.0 110.184 -178.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -84.65 -23.6 29.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 109.572 -179.655 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 13' ' ' GLU . 97.9 m-70 56.92 -127.19 1.87 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.404 -0.81 . . . . 0.0 109.878 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -88.6 -0.53 57.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.217 -0.927 . . . . 0.0 110.186 -179.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.05 73.52 6.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 109.639 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -69.95 -25.77 63.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.32 -40.82 91.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.096 -1.002 . . . . 0.0 110.317 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.9 88.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 108.811 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 36' ' ' ILE . 36.5 ttm -59.99 -47.57 85.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.716 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -58.79 -39.99 82.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.138 -0.976 . . . . 0.0 109.263 -179.715 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.0 m -64.27 -39.83 94.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.492 -0.755 . . . . 0.0 110.173 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.75 69.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.305 -178.588 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.67 -0.01 56.26 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.283 -0.885 . . . . 0.0 109.679 -179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ALA . 17.9 m120 53.61 48.09 22.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.31 -0.869 . . . . 0.0 110.642 178.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.3 mt -120.83 152.42 56.07 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.461 -0.775 . . . . 0.0 108.932 179.626 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.04 157.93 58.25 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.8 1.667 . . . . 0.0 111.75 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -44.19 -21.18 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.513 2.142 . . . . 0.0 112.663 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -49.99 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -75.57 -42.57 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.904 -1.123 . . . . 0.0 111.021 -178.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.14 74.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.81 -1.181 . . . . 0.0 109.411 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.11 -39.97 88.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.205 -0.934 . . . . 0.0 110.018 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.39 -39.9 94.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.0 110.194 -179.127 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 22' ' ' MET . 81.3 mt -60.52 -40.49 84.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.735 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.01 -39.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.319 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.21 19.92 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.59 -0.694 . . . . 0.0 109.652 -179.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -88.22 -46.27 9.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.027 . . . . 0.0 109.123 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.07 128.19 35.57 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 108.74 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.52 -23.22 46.39 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.083 -1.011 . . . . 0.0 109.812 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.07 -49.28 14.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.276 -0.89 . . . . 0.0 111.029 -179.569 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -77.48 -24.93 50.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 111.213 -178.333 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -69.65 -41.77 75.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.804 -1.185 . . . . 0.0 110.347 -178.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.9 mt -87.44 141.48 28.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 0.0 109.357 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.12 -69.98 0.55 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 0.0 108.918 179.619 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.21 80.77 0.51 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' HIS . 85.0 mt-10 -145.73 0.96 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -1.131 . . . . 0.0 108.67 179.319 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 50' ' ' MET . . . -76.31 161.16 28.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 1.6 tpt 77.82 -18.45 0.5 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.793 -0.567 . . . . 0.0 109.852 179.589 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLU . 40.1 p-80 -154.19 160.02 41.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.109 -0.994 . . . . 0.0 109.616 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.65 53.51 0.04 OUTLIER Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.029 -1.628 . . . . 0.0 109.029 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -79.95 147.86 31.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -1.107 . . . . 0.0 109.015 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.82 119.44 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.331 -179.893 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.408 ' H ' ' CD1' ' B' ' 5' ' ' ILE . 90.9 mt -104.11 147.56 27.28 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.546 0.688 . . . . 0.0 109.978 -179.682 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' B' ' 5' ' ' ILE . 94.0 m-20 -59.96 -40.04 87.65 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.77 -19.08 0.14 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 3' ' ' ASP . 76.5 mt -60.0 -41.52 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.401 -1.058 . . . . 0.0 109.361 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -60.01 -39.91 87.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -0.996 . . . . 0.0 108.571 179.239 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.61 -38.99 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.555 -0.715 . . . . 0.0 109.228 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.5 77.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.863 . . . . 0.0 109.221 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.95 -44.7 94.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.02 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.77 -39.98 90.8 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.813 . . . . 0.0 110.375 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -94.82 9.52 38.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.136 -0.978 . . . . 0.0 109.959 -179.131 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t -47.03 -40.49 14.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.809 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.467 ' O ' ' CE1' ' B' ' 16' ' ' HIS . 98.5 mt-10 -60.11 -39.82 87.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.895 . . . . 0.0 110.031 179.888 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.17 -39.94 88.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 110.138 -178.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.66 -23.49 29.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.928 -1.108 . . . . 0.0 109.585 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 13' ' ' GLU . 97.9 m-70 56.86 -127.47 1.87 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.48 -0.763 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -88.28 -0.58 57.29 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.206 -0.934 . . . . 0.0 110.255 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -80.02 73.53 6.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.989 -1.069 . . . . 0.0 109.658 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -70.09 -25.59 63.59 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.22 -0.925 . . . . 0.0 109.602 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.63 -40.68 92.83 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.106 -0.997 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 88.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.879 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.428 ' SD ' HD12 ' B' ' 36' ' ' ILE . 36.8 ttm -59.98 -47.71 84.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 0.0 109.683 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -58.77 -39.98 82.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.179 -179.7 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 64.8 m -64.14 -39.86 94.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -69.84 -44.79 69.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.184 -0.947 . . . . 0.0 110.314 -178.627 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.64 0.01 56.32 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.207 -0.933 . . . . 0.0 109.637 -179.715 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.9 m120 53.51 48.1 22.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.338 -0.851 . . . . 0.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 30.9 mt -120.85 152.36 56.04 Favored Pre-proline 0 N--CA 1.503 2.213 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.94 158.0 58.18 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.881 1.721 . . . . 0.0 111.687 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -44.27 -21.26 0.39 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.387 2.058 . . . . 0.0 112.728 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -49.99 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -178.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -75.27 -42.52 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.7 -1.25 . . . . 0.0 111.075 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.23 74.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.729 -1.232 . . . . 0.0 109.413 -179.321 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.1 -40.03 88.23 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.213 -0.929 . . . . 0.0 110.015 179.182 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -62.29 -40.18 95.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.168 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.428 HD12 ' SD ' ' B' ' 22' ' ' MET . 81.0 mt -60.42 -40.01 82.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.39 -39.93 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.417 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.46 -20.37 19.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.664 -0.647 . . . . 0.0 109.679 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.9 m -87.99 -46.48 9.32 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.132 -0.98 . . . . 0.0 109.12 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.0 128.17 35.51 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.256 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -78.43 -23.32 46.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.636 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.14 -49.21 14.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.182 -0.949 . . . . 0.0 111.085 -179.572 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 72.6 m -77.23 -25.15 51.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.168 -0.958 . . . . 0.0 111.253 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -69.4 -42.06 75.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.827 -1.171 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -87.33 141.48 28.6 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.099 -1.0 . . . . 0.0 109.389 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.0 -69.93 0.55 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.119 -0.988 . . . . 0.0 109.003 179.621 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 80.68 0.51 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 51' ' ' HIS . 85.4 mt-10 -145.79 1.06 0.88 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.305 -1.115 . . . . 0.0 108.696 179.316 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' B' ' 50' ' ' MET . . . -76.38 161.26 28.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.828 . . . . 0.0 110.123 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' B' ' 49' ' ' ALA . 1.6 tpt 77.64 -18.73 0.48 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.63 -0.669 . . . . 0.0 109.862 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' B' ' 48' ' ' GLU . 40.2 p-80 -153.76 160.26 42.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.556 179.794 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.47 53.33 0.04 OUTLIER Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -79.81 147.96 31.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -1.129 . . . . 0.0 109.047 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.9 119.42 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.112 -0.993 . . . . 0.0 109.083 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.408 -179.82 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_